SCHEMBL5237677

SCHEMBL5237677

O=C(Cl)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
DEGS1 O15121 1/20 0.44
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
PTGS1 P23219 2/20 0.43
AURKA O14965 2/20 0.43
CHEK2 O96017 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
FLT4 P35916 1/20 0.43
ABL2 P42684 1/20 0.43

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
SCHEMBL5235614 0.89 HCAR3 (0.52) PTGESKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5238948 0.85 SMN1; SMN2 (0.50) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5738920 0.84 PTGES (0.59) PTGESKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5237696 0.84 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5238444 0.84 NPC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5232661 0.81 NPC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2571574 0.81 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27489099 0.80 MEN1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5389729 0.80 F10 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL5388857 0.79 F10 (0.58) F10

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-1065244-C Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 2001-05-02 CN 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-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-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