SCHEMBL8314633

SCHEMBL8314633

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.70
AVPR1A P37288 11/20 0.70

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
SCHEMBL8523309 0.88 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8317025 0.86 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL7339277 0.86 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL7339585 0.86 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL8314080 0.85 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL8317630 0.84 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8314151 0.84 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8319275 0.84 AVPR2 (0.85) AVPR2AVPR1A
SCHEMBL8317049 0.83 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8312708 0.83 AVPR2 (0.75) 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