SCHEMBL6856795

SCHEMBL6856795

CC(C)NC(=O)Cc1cc2cc(O)cnc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.38
TRPV3 Q8NET8 1/20 0.38
AVPR1B P47901 5/20 0.38
ICMT O60725 1/20 0.38
CNR1 P21554 1/20 0.36
ABL1 P00519 1/20 0.36
CNR2 P34972 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPA1 O75762 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
SCHEMBL6857154 0.90 TRPV1 (0.40) TRPV1SUCNR1TRPV3AVPR1BICMT
SCHEMBL6857370 0.84 TRPV1 (0.39) TRPV1TRPV3AVPR1BICMTCNR1
SCHEMBL6856154 0.81 AVPR1B (0.55) AVPR1B
SCHEMBL6857502 0.79 AVPR1B (0.51) AVPR1BTGFBR1
SCHEMBL6857380 0.78 TRPV1 (0.38) TRPV1TRPV3AVPR1BICMTABL1
SCHEMBL6856761 0.76 AVPR1B (0.41) TRPV1AVPR1BCNR1CNR2
SCHEMBL6856257 0.76 AVPR1B (0.41) TRPV1TRPV3AVPR1BCNR1CNR2
SCHEMBL6857005 0.72 AVPR1B (0.55) AVPR1B
SCHEMBL6855979 0.72 AVPR1B (0.39) USP2LMNAAVPR1BICMTABL1
SCHEMBL16424169 0.72 AVPR1B (0.41) AVPR1BCNR1ABL1CNR2

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