SCHEMBL4310038

SCHEMBL4310038

CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2nc(OC3CCN(C4CCCC4)CC3)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.68

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
SCHEMBL8022132 0.91 AVPR1B (0.68) AVPR1B
SCHEMBL4305704 0.88 AVPR1B (0.66) AVPR1B
SCHEMBL4305698 0.88 AVPR1B (0.66) AVPR1B
SCHEMBL4311724 0.84 AVPR1B (0.64) AVPR1B
SCHEMBL4303320 0.82 AVPR1B (0.81) AVPR1B
SCHEMBL4302720 0.81 AVPR1B (1.00) AVPR1B
SCHEMBL8010473 0.80 AVPR1B (0.67) AVPR1B
SCHEMBL4311095 0.73 AVPR1B (0.68) AVPR1B
SCHEMBL4315024 0.72 AVPR1B (0.84) AVPR1B
SCHEMBL4306581 0.72 AVPR1B (0.67) 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 2 patents. 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 claimed
WO-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed