SCHEMBL4307426

SCHEMBL4307426

CC(C)NC(=O)Cn1c(-c2cc(C(F)(F)F)ccc2F)cn2nc(OCCCO)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.61
GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL4305921 0.90 AVPR1B (0.77) AVPR1B
SCHEMBL4303320 0.86 AVPR1B (0.81) AVPR1B
SCHEMBL4305688 0.83 AVPR1B (0.81) AVPR1B
SCHEMBL4304225 0.80 AVPR1B (0.80) AVPR1B
SCHEMBL4310010 0.78 AVPR1B (0.57) AVPR1B
SCHEMBL8016622 0.78 AVPR1B (0.54) AVPR1B
SCHEMBL8010966 0.78 AVPR1B (0.80) AVPR1B
SCHEMBL4309789 0.77 AVPR1B (0.82) AVPR1B
Hydrochloric Acid SCHEMBL4305871 0.77 AVPR1B (0.81) AVPR1B
SCHEMBL4302720 0.76 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 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