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
SCHEMBL5238948 0.88 SMN1; SMN2 (0.50) KDM4ERAB9ANPC1F10SMN1; SMN2
SCHEMBL5233565 0.88 HCAR3 (0.56) KDM4ERAB9ANPC1ALOX15HTT
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
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