SCHEMBL8024583

SCHEMBL8024583

Cc1cccc(-c2cn3nc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.73

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
SCHEMBL4310010 0.89 AVPR1B (0.57) AVPR1B
SCHEMBL4304949 0.87 AVPR1B (0.55) AVPR1B
SCHEMBL4302641 0.86 AVPR1B (0.54) AVPR1B
SCHEMBL4307007 0.85 AVPR1B (1.00) AVPR1B
SCHEMBL4307448 0.84 AVPR1B (1.00) AVPR1B
Hydrochloric Acid SCHEMBL4301353 0.84 AVPR1B (0.98) AVPR1B
Hydrochloric Acid SCHEMBL4301226 0.83 AVPR1B (0.98) AVPR1B
SCHEMBL4309789 0.83 AVPR1B (0.82) AVPR1B
SCHEMBL4301389 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4305080 0.82 AVPR1B (1.00) 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-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed