SCHEMBL5233565

SCHEMBL5233565

Cc1cc(F)ccc1C(=O)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
KDM4E B2RXH2 2/20 0.56
SORT1 Q99523 1/20 0.49
GCK P35557 5/20 0.48
RARG P13631 2/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47
F10 P00742 1/20 0.46
ABL1 P00519 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
SCHEMBL5236673 0.91 HCAR3 (0.55) HCAR3KDM4EGCKRARGRARA
SCHEMBL5237696 0.88 KDM4E (0.54) KDM4ENPC1RAB9ATP53ALOX15
SCHEMBL5232592 0.88 HCAR3 (0.57) HCAR3KDM4EGCKRARGRARA
SCHEMBL5234277 0.86 PYGL (0.55) HCAR3KDM4ESORT1GCKRARG
SCHEMBL5235679 0.84 RAB9A (0.60) HCAR3SORT1GCKNPC1RAB9A
SCHEMBL22871325 0.84 HCAR3 (0.53) HCAR3KDM4EGCKRARGRARA
SCHEMBL5235614 0.84 HCAR3 (0.52) HCAR3KDM4ESORT1GCKRARG
SCHEMBL5272434 0.83 HCAR3 (0.55) HCAR3KDM4ESORT1GCKRARG
SCHEMBL31585933 0.83 HCAR3 (0.55) HCAR3KDM4ESORT1GCKRARG
SCHEMBL5235844 0.82 HCAR3 (0.68) HCAR3KDM4EGCKNPC1RAB9A

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 16 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
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
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 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