SCHEMBL5740686

SCHEMBL5740686

S=C1CNc2ccccc2CN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HK1 P19367 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
GALK1 P51570 1/20 0.47
BLM P54132 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
HTR5A P47898 2/20 0.44
CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2041999 0.86
SCHEMBL30668800 0.86
SCHEMBL1828551 0.86
Ammonia Solution, Strong SCHEMBL7208186 0.84
Naphthalene SCHEMBL11345152 0.79 ALOX15 (0.64) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL44824 0.74 HTR5A (0.53) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL5193435 0.74 ALOX15 (0.57) ALOX15HSD17B10GAANPSR1MEN1
Alcohol SCHEMBL7759130 0.74 ALOX15 (0.57) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL310398 0.73 HTR5A (0.57) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL4294892 0.73 MEN1 (0.50) ALOX15HSD17B10GAANPSR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 EP disclosed
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5854237-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5780471-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-14 US disclosed
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 US disclosed
US-5700796-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed