SCHEMBL7336402

SCHEMBL7336402

CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
RAB9A P51151 5/20 0.68
GAA P10253 3/20 0.68
NPC1 O15118 3/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPT P10636 6/20 0.65
CASP3 P42574 1/20 0.65
TRPV1 Q8NER1 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
MAPK1 P28482 2/20 0.56
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.54
MAOA P21397 1/20 0.53
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL31173157 0.85 RAB9A (0.68) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL4634907 0.84 MAPT (0.81) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL7335026 0.82 MITF (0.62) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8317691 0.82 AVPR2 (0.50) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL5232976 0.81 SMN1; SMN2 (1.00) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL8689072 0.81 HDAC1 (0.56) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4116146 0.81 MAPT (0.76) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL4122958 0.79 MAPT (1.00) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL5879030 0.79 RAB9A (0.88) MEN1KMT2ASMN1; SMN2RAB9AGAA
SCHEMBL10943445 0.79 RAB9A (0.88) MEN1KMT2ASMN1; SMN2RAB9AGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5736540-A CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
US-5733905-A CONGESTIVE HEART FAILURE; KIDNEY DISORDERS AMERICAN CYANAMID COMPANY (US) 1998-03-31 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 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