SCHEMBL8311302

SCHEMBL8311302

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.67
AVPR2 P30518 10/20 0.67

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
SCHEMBL8318428 0.92 AVPR1A (0.58) AVPR1AAVPR2
SCHEMBL8318743 0.92 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL8315941 0.90 AVPR2 (0.60) AVPR1AAVPR2
SCHEMBL7330829 0.86 AVPR1A (0.63) AVPR1AAVPR2
SCHEMBL8317025 0.85 AVPR2 (0.75) AVPR1AAVPR2
SCHEMBL7339277 0.85 AVPR2 (0.83) AVPR1AAVPR2
SCHEMBL8314151 0.83 AVPR2 (0.77) AVPR1AAVPR2
SCHEMBL8317010 0.83 AVPR2 (0.75) AVPR1AAVPR2
SCHEMBL8315043 0.82 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL8314080 0.82 AVPR2 (0.78) 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 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