SCHEMBL7412836

SCHEMBL7412836

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.51
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
AVPR2 P30518 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
SCHEMBL8318310 0.90 AVPR1A (0.54) AVPR1ARAB9AGAAAVPR2
SCHEMBL7418830 0.90 ALDH1A1 (0.53) RAB9A
SCHEMBL7412261 0.87 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL7410950 0.85 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL7414617 0.84 MEN1 (0.51) AVPR1ARAB9AAVPR2
SCHEMBL7415990 0.83 AVPR2 (0.50) AVPR1AAVPR2
SCHEMBL7331708 0.81 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL8317555 0.80 AVPR2 (0.54) AVPR1ARAB9AAVPR2
SCHEMBL8316362 0.80 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL7417033 0.80 AVPR2 (0.56) AVPR1AAVPR2

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