SCHEMBL5236756

SCHEMBL5236756

O=C(Cl)c1ccc(NC(=O)C2CCCCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
HCAR3 P49019 1/20 0.49
DEGS1 O15121 1/20 0.47

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
SCHEMBL5233668 0.98 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5233530 0.87 HCAR3 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5239807 0.85 HCAR3 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5235740 0.82 ALDH1A1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5233494 0.81 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20284163 0.80 DEGS1 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL29518875 0.80 DEGS1 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5235886 0.80 HCAR3 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL13189354 0.79 RAB9A (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL31241003 0.79 RAB9A (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MEN1

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