SCHEMBL5230952

SCHEMBL5230952

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HCAR3 P49019 4/20 0.58
TDP1 Q9NUW8 1/20 0.52
GCK P35557 5/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGFR P43088 1/20 0.46

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
SCHEMBL5238584 0.89 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5231102 0.87 HCAR3 (0.61) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5233704 0.87 HCAR3 (0.68) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5235844 0.81 HCAR3 (0.68) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL7331132 0.80 MEN1 (0.57) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5235093 0.79 HCAR3 (0.61) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5233565 0.78 HCAR3 (0.56) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL20601605 0.77 HCAR3 (0.58) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5236673 0.77 HCAR3 (0.55) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5236663 0.77 HCAR3 (0.66) NPC1RAB9ATP53HCAR3GCK

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 18 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-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
CN-1061658-C Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 2001-02-07 CN disclosed
CN-1231666-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 1999-10-13 CN disclosed
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
CN-1198746-A Tricyclic benzazepine * vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-11-11 CN disclosed
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 US disclosed
US-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO 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-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 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-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS 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-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed