SCHEMBL4308294

SCHEMBL4308294

CC(C)NC(=O)COc1nc(-c2cccc(Cl)c2)cn2nc(OCCCO)cc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.54
LTB4R Q15722 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL4307482 0.97 AVPR1B (0.55) AVPR1BLTB4RSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4308493 0.97 AVPR1B (0.54) AVPR1BSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4304194 0.91 AVPR1B (0.52) AVPR1BLTB4RSMN1; SMN2
SCHEMBL8020813 0.89 AVPR1B (0.55) AVPR1BSMN1; SMN2
SCHEMBL8018283 0.85 AVPR1B (0.41) AVPR1BSMN1; SMN2HCRTR1HCRTR2
SCHEMBL8019748 0.85 AVPR1B (0.52) AVPR1B
SCHEMBL4304919 0.84 AVPR1B (0.56) AVPR1BHCRTR1HCRTR2
SCHEMBL4304225 0.81 AVPR1B (0.80) AVPR1B
SCHEMBL8010966 0.78 AVPR1B (0.80) AVPR1B
SCHEMBL4302704 0.77 AVPR1B (0.81) 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