SCHEMBL7417033

SCHEMBL7417033

Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4-c4ccccc43)cc2)c1C

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.56
AVPR1A P37288 2/20 0.56

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
SCHEMBL7331708 0.93 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8314000 0.90 AVPR1A (0.56) AVPR2AVPR1A
SCHEMBL7412261 0.89 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL7410542 0.86 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL7331689 0.85 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL7417248 0.85 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL7409772 0.84 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL7339924 0.84 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL7407436 0.84 GAA (0.52) AVPR2AVPR1A
SCHEMBL7416561 0.84 AVPR2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US claimed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5854237-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5733905-A CONGESTIVE HEART FAILURE; KIDNEY DISORDERS AMERICAN CYANAMID COMPANY (US) 1998-03-31 US disclosed