SCHEMBL14879079

SCHEMBL14879079

C=Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1NC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.55
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TNIK Q9UKE5 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2946308 0.88 TRPV1 (0.72) TRPV1TDP1
SCHEMBL2951629 0.88 TRPV1 (0.72) TRPV1TDP1
SCHEMBL13238730 0.88 TRPV1 (0.72) TRPV1TDP1
SCHEMBL2946306 0.88 TRPV1 (0.72) TRPV1TDP1
SCHEMBL14879089 0.81 TRPV1 (0.52) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2955727 0.76 TRPV1 (0.52) TRPV1TDP1
SCHEMBL2959320 0.76 TRPV1 (0.52) TRPV1TDP1
SCHEMBL2955724 0.76 TRPV1 (0.52) TRPV1TDP1
SCHEMBL2959321 0.76 TRPV1 (0.52) TRPV1TDP1
SCHEMBL302574 0.76 TRPV1 (0.56) TRPV1

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-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed