SCHEMBL8315941

SCHEMBL8315941

Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)Cc1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.60
AVPR1A P37288 11/20 0.60

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
SCHEMBL8318743 0.92 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8318428 0.92 AVPR1A (0.58) AVPR2AVPR1A
SCHEMBL8311302 0.90 AVPR1A (0.67) AVPR2AVPR1A
SCHEMBL8315043 0.88 AVPR1A (0.57) AVPR2AVPR1A
SCHEMBL7344569 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8313261 0.85 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL7331851 0.85 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8317804 0.82 AVPR1A (0.65) AVPR2AVPR1A
SCHEMBL8313226 0.81 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7333936 0.81 AVPR2 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed