SCHEMBL4305688

SCHEMBL4305688

CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2nc(OCCCO)cc2c1=O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.81

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
SCHEMBL4305705 0.89 AVPR1B (1.00) AVPR1B
SCHEMBL4304225 0.89 AVPR1B (0.80) AVPR1B
SCHEMBL4303320 0.89 AVPR1B (0.81) AVPR1B
SCHEMBL8010966 0.87 AVPR1B (0.80) AVPR1B
SCHEMBL4302704 0.86 AVPR1B (0.81) AVPR1B
SCHEMBL8006439 0.84 AVPR1B (0.80) AVPR1B
SCHEMBL4307426 0.83 AVPR1B (0.61) AVPR1B
SCHEMBL4307444 0.81 AVPR1B (0.76) AVPR1B
SCHEMBL8020813 0.81 AVPR1B (0.55) AVPR1B
SCHEMBL4310010 0.79 AVPR1B (0.57) 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 disclosed
WO-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed