SCHEMBL846402

SCHEMBL846402

CCCCc1ccc(C(=O)N(C)c2cnc3ccccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.62
CFTR P13569 1/20 0.50
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL846100 0.80 CFTR (0.47) TRPV1CFTRPOLBRAB9APDE10A
SCHEMBL846651 0.77 TRPV1 (1.00) TRPV1RAB9A
SCHEMBL20509079 0.75 RAB9A (0.48) TRPV1LMNAPOLBTSHRRAB9A
SCHEMBL6114503 0.74 PDE10A (0.60) TRPV1LMNAPOLBTSHRRAB9A
SCHEMBL846121 0.74 TRPV1 (0.98) TRPV1RAB9A
SCHEMBL2158482 0.74 TRPV1 (0.50) TRPV1
SCHEMBL846096 0.73 TRPV1 (1.00) TRPV1RAB9A
SCHEMBL846630 0.73 TRPV1 (1.00) TRPV1RAB9A
SCHEMBL846134 0.73 TRPV1 (1.00) TRPV1RAB9A
SCHEMBL846650 0.73 TRPV1 (1.00) TRPV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed