SCHEMBL2461669

SCHEMBL2461669

COC1(c2cccc(C(F)(F)F)c2)C=C(C(=O)O)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCR2 P41597 2/20 0.39
OPRM1 P35372 3/20 0.37
OPRL1 P41146 2/20 0.37
CNR2 P34972 1/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
CHRM5 P08912 1/20 0.34
KIF11 P52732 1/20 0.34
SRD5A2 P31213 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL2373128 0.78 HCAR3 (0.34) HCAR3HCAR2OPRM1OPRL1GALR3
SCHEMBL25329372 0.65 ALDH1A1 (0.38) OPRM1OPRL1GALR3MAPTALDH1A1
SCHEMBL14939165 0.61 MAPT (0.49) HCAR3HCAR2OPRM1GALR3MAPT
SCHEMBL4814723 0.61 OPRM1 (0.47) CCR2OPRM1OPRL1CNR2MEN1
SCHEMBL17146208 0.60 CCR2 (0.47) HCAR3HCAR2CCR2OPRM1OPRL1
SCHEMBL7310701 0.59 PDK2 (0.47) OPRL1CHRM5
SCHEMBL696251 0.59 AKR1C3 (0.67) CCR2OPRM1OPRL1MAPTMEN1
SCHEMBL15701118 0.59 SLC6A4 (0.51) CCR2OPRM1OPRL1MAPTNPSR1
SCHEMBL28650686 0.59 HDAC3 (0.51) CCR2OPRM1OPRL1NPSR1
Hydrochloric Acid SCHEMBL4815021 0.58 TACR1 (0.48) CCR2OPRM1OPRL1MAPTALDH1A1

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-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed