SCHEMBL6857154

SCHEMBL6857154

Cc1cnc2nc(-c3ccc(F)c(Cl)c3)c(CC(=O)NC(C)C)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
AVPR1B P47901 7/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
ICMT O60725 1/20 0.38
SLC9A1 P19634 1/20 0.37
AXL P30530 1/20 0.36
KMO O15229 1/20 0.36
ABL1 P00519 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
CNR2 P34972 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
SCHEMBL6856795 0.90 TRPV1 (0.40) TRPV1AVPR1BSUCNR1ICMTABL1
SCHEMBL6856154 0.81 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6857502 0.79 AVPR1B (0.51) AVPR1BAXL
SCHEMBL6857370 0.78 TRPV1 (0.39) TRPV1AVPR1BICMTABL1TRPV3
SCHEMBL6857380 0.78 TRPV1 (0.38) TRPV1AVPR1BICMTABL1TRPV3
SCHEMBL6856761 0.76 AVPR1B (0.41) TRPV1AVPR1BAXLCNR2
SCHEMBL6856257 0.76 AVPR1B (0.41) TRPV1AVPR1BTRPV3CNR2
SCHEMBL6857005 0.72 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6857215 0.71 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6855434 0.71 AVPR1B (0.55) AVPR1BAXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed