SCHEMBL5740311

SCHEMBL5740311

Cc1ncccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.68
AVPR1A P37288 3/20 0.68

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
SCHEMBL5739194 0.89 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL5738699 0.89 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL5738696 0.89
SCHEMBL5738863 0.89 AVPR2 (0.63) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL5739883 0.88 AVPR2 (0.62) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL5739031 0.88
SCHEMBL7331296 0.88 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL5738597 0.87 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL5739120 0.86 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL5738858 0.86 AVPR2 (0.63) AVPR2AVPR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP claimed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US claimed
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP 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
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed