SCHEMBL5233591

SCHEMBL5233591

Cc1ccccc1C(=O)N(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 4/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MAOA P21397 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PDK2 Q15119 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
SCHEMBL529870 0.88 POLB (0.66) POLBKMT2AEGFRERBB2MEN1
SCHEMBL5238532 0.88 ESR1 (0.54) POLBKMT2AEGFRERBB2MEN1
SCHEMBL5235289 0.86 POLB (0.51) POLBKMT2AEGFRERBB2MEN1
SCHEMBL12765033 0.85 POLB (0.53) POLBKMT2AEGFRERBB2MEN1
SCHEMBL5236164 0.84 KMT2A (0.46) POLBKMT2AEGFRERBB2MEN1
SCHEMBL8204611 0.84 POLB (0.53) POLBKMT2AEGFRERBB2MEN1
SCHEMBL6993347 0.83 MEN1 (0.49) POLBKMT2AMEN1HTTNPC1
SCHEMBL5233242 0.83 POLB (0.79) POLBKMT2AEGFRERBB2MEN1
SCHEMBL31642733 0.82 L3MBTL1 (0.56) POLBKMT2AEGFRERBB2MEN1
SCHEMBL13654293 0.82 POLB (0.50) POLBKMT2AEGFRERBB2MEN1

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-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
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
CN-1181084-A Tricyclic benzazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1998-05-06 CN disclosed
CN-1177356-A Bicyclic benzazepine derivatives as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-03-25 CN 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-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE 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
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