SCHEMBL4304919

SCHEMBL4304919

CC(C)NC(=O)COc1nc(-c2ccc(F)c(C(F)(F)F)c2)cn2nc(OCCCO)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.56
F2RL3 Q96RI0 1/20 0.41
TRPV3 Q8NET8 2/20 0.36
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
SUCNR1 Q9BXA5 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL8020813 0.89 AVPR1B (0.55) AVPR1BTRPV3
SCHEMBL8026823 0.87 AVPR1B (0.47) AVPR1BF2RL3TRPV3HCRTR1HCRTR2
SCHEMBL4308294 0.84 AVPR1B (0.54) AVPR1BHCRTR1HCRTR2
SCHEMBL4307482 0.82 AVPR1B (0.55) AVPR1BHCRTR1HCRTR2
SCHEMBL4303320 0.81 AVPR1B (0.81) AVPR1B
SCHEMBL4308493 0.80 AVPR1B (0.54) AVPR1BF2RL3HCRTR1HCRTR2
SCHEMBL8018283 0.80 AVPR1B (0.41) AVPR1BHCRTR1HCRTR2
SCHEMBL4304194 0.76 AVPR1B (0.52) AVPR1B
SCHEMBL4301376 0.72 AVPR1B (0.66) AVPR1B
SCHEMBL4305913 0.72 AVPR1B (0.40) AVPR1BHCRTR1HCRTR2

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