SCHEMBL5233530

SCHEMBL5233530

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.51
GCK P35557 1/20 0.50

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
SCHEMBL5239807 0.98 HCAR3 (0.68) HCAR3MEN1KMT2ANPC1RAB9A
SCHEMBL30498440 0.92 HCAR3 (0.66) HCAR3NPC1RAB9AALDH1A1GCK
SCHEMBL21061901 0.92 HCAR3 (0.66) HCAR3NPC1RAB9AALDH1A1GCK
SCHEMBL5236756 0.87 NPC1 (0.60) HCAR3MEN1KMT2ANPC1RAB9A
SCHEMBL5233668 0.85 NPC1 (0.57) HCAR3MEN1KMT2ANPC1RAB9A
SCHEMBL5738821 0.82 HCAR3 (0.54) HCAR3MEN1KMT2ANPC1RAB9A
SCHEMBL8115278 0.81 HCAR3 (0.97) HCAR3
SCHEMBL29518875 0.81 DEGS1 (0.66) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL20284163 0.81 DEGS1 (0.66) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5239996 0.80 HCAR3 (0.59) HCAR3MEN1KMT2ANPC1RAB9A

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 20 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
CN-1231666-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 1999-10-13 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
WO-1996022282-A1 TRICYCLIC BENZAZEPINE 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