SCHEMBL13177116

SCHEMBL13177116

Cc1ccccc1-c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ TFDP2 Q14188 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ TRPV1 Q8NER1 6/20 0.38
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL4536251 0.82 NPC1 (0.50) PDE10ATRPV1
SCHEMBL16927522 0.72 TRPV1 (0.49) PRKAG1PRKAA2PRKAB1CHEK2TRPV1
SCHEMBL5680411 0.70 TRPA1 (0.52) F2PLGPRSS1TRPA1
SCHEMBL321771 0.70 KIF11 (0.56) —
SCHEMBL4530589 0.69 NPC1 (0.45) TRPA1PDE10ATRPV1
SCHEMBL4512876 0.69 RAB9A (0.45) PDE10ATRPV1
SCHEMBL4515791 0.69 RAB9A (0.45) PDE10ATRPV1
SCHEMBL4554335 0.68 NPC1 (0.44) PDE10ATRPV1
SCHEMBL4514053 0.68 TRPV1 (0.62) TRPV1
SCHEMBL14191928 0.68 TRPV1 (0.37) PDE10ACHEK2TRPV1BRD4

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 disclosed
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