SCHEMBL2934599

SCHEMBL2934599

OCc1ccccc1-c1ccc2[nH]c(C3CC3c3cccc(Cl)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL12350598 0.84 HCRTR1 (0.39) TRPV1MAP4K1HCRTR1HCRTR2HSP90AA1
SCHEMBL1796112 0.83 TRPV1 (0.44) TRPV1HTR2AHTR2CHTR2BGAA
SCHEMBL1801849 0.83 HCRTR1 (0.38) TRPV1CHRM1CHRM3GAAHSD17B3
SCHEMBL1801077 0.83 TRPV1 (0.37) TRPV1CHRM1CHRM3GAAHCRTR1
SCHEMBL1796478 0.82 TRPV1 (0.40) TRPV1MAP4K1
SCHEMBL1798617 0.81 TRPV1 (0.41) TRPV1CHRM1CHRM3
SCHEMBL1800931 0.79 TRPV1 (0.47) TRPV1HSD17B3
SCHEMBL1799943 0.77 ALOX5AP (0.38) TRPV1GAA
SCHEMBL1796912 0.72 CHRNA1 (0.39) TRPV1GAAHCRTR1HCRTR2PDE10A
SCHEMBL1797611 0.72 TRPV1 (0.50) TRPV1HCRTR1HCRTR2PDE10A

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
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP claimed
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