SCHEMBL8315535

SCHEMBL8315535

COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 1.00
AVPR1A P37288 9/20 1.00

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
SCHEMBL8314277 0.90 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL8314271 0.90 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL7333936 0.89 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8317076 0.87 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8315264 0.86 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8559006 0.86 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8314080 0.85 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL7336212 0.85 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL8316028 0.85 AVPR1A (0.73) AVPR2AVPR1A
SCHEMBL5740017 0.85 AVPR2 (0.73) 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