SCHEMBL5319192

SCHEMBL5319192

COc1ccccc1C(=O)N(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 2/20 0.49
RXRA P19793 1/20 0.48
PLAU P00749 1/20 0.47
HTT P42858 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL529916 0.89 POLB (0.60) RAB9ANPC1L3MBTL1POLBPLAU
SCHEMBL5233877 0.83 RXRA (0.50) POLBRXRAEGFRERBB2
SCHEMBL8202819 0.82 RXRA (0.56) RAB9ANPC1L3MBTL1RXRAHTT
SCHEMBL5231122 0.82 KMT2A (0.61) RAB9ANPC1L3MBTL1PLAUHTT
SCHEMBL5237051 0.81 PLAU (0.49) NPC1L3MBTL1POLBPLAU
SCHEMBL5233591 0.80 POLB (0.53) NPC1POLBHTTEGFRERBB2
SCHEMBL8204611 0.80 POLB (0.53) RAB9ANPC1POLBHTTEGFR
SCHEMBL13593370 0.80 RAB9A (0.52) RAB9ANPC1L3MBTL1RXRAHTT
SCHEMBL23680734 0.79 HTT (0.56) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL5233242 0.79 POLB (0.79) RAB9ANPC1L3MBTL1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
CN-1064354-C Antimicrobial 5- (N-heterosubstituted amino) quinolones and pharmaceutical compositions AMERICAN CYANAMID CO (US) 2001-04-11 CN disclosed
CN-1061658-C Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 2001-02-07 CN 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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
CN-1106802-A Tricyclic benzazepines (aza *) vasopressin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed