SCHEMBL5237696

SCHEMBL5237696

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
F10 P00742 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 3/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
GRM5 P41594 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ABL1 P00519 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
SCHEMBL2571574 0.91 KDM4E (0.53) KDM4ERAB9ANPC1ALOX15HTT
SCHEMBL5233565 0.88 HCAR3 (0.56) KDM4ERAB9ANPC1ALOX15HTT
SCHEMBL5238948 0.88 SMN1; SMN2 (0.50) KDM4ERAB9ANPC1F10SMN1; SMN2
SCHEMBL5238444 0.87 NPC1 (0.52) KDM4ERAB9ANPC1F10SMN1; SMN2
SCHEMBL5232823 0.86 RAB9A (0.60) RAB9ANPC1ALOX15HTTF10
SCHEMBL5232661 0.85 NPC1 (0.52) KDM4ERAB9ANPC1HTTF10
SCHEMBL5237677 0.84 PTGES (0.46) KDM4ERAB9ANPC1F10SMN1; SMN2
SCHEMBL5232050 0.83 RAB9A (0.71) KDM4ERAB9ANPC1ALOX15HTT
SCHEMBL27516256 0.80 NPC1 (0.57) KDM4ERAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5236673 0.80 HCAR3 (0.55) KDM4ERAB9ANPC1ALOX15HTT

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-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-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