SCHEMBL8013118

SCHEMBL8013118

Cc1cccc(-c2cn3cc(CCO)cc3c(=O)n2CC(=O)NC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.54

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
SCHEMBL4311828 0.94 AVPR1B (0.51) AVPR1B
SCHEMBL8001699 0.91 AVPR1B (0.54) AVPR1B
SCHEMBL8024869 0.88 AVPR1B (0.65) AVPR1B
SCHEMBL8010786 0.87 AVPR1B (0.51) AVPR1B
SCHEMBL4310108 0.85 AVPR1B (0.65) AVPR1B
SCHEMBL8017071 0.85 AVPR1B (0.56) AVPR1B
SCHEMBL8023527 0.85 AVPR1B (0.55) AVPR1B
SCHEMBL4301406 0.85 AVPR1B (0.51) AVPR1B
Hydrochloric Acid SCHEMBL4316167 0.84 AVPR1B (0.64) AVPR1B
SCHEMBL8021539 0.84 AVPR1B (0.53) AVPR1B

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
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed