SCHEMBL14423733

SCHEMBL14423733

CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.77
TRPA1 O75762 1/20 0.77
KCNH2 Q12809 1/20 0.77
TRPM8 Q7Z2W7 1/20 0.77

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
SCHEMBL13930805 0.88 TRPV1 (0.82) TRPV1TRPA1KCNH2TRPM8
SCHEMBL29386030 0.87 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423739 0.87 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13377930 0.87 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8
SCHEMBL1269620 0.87 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423741 0.84 PANK3 (0.72) TRPV1
SCHEMBL14423771 0.79 TRPV1 (0.86) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423743 0.78 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423737 0.76 TRPV1 (0.80) TRPV1TRPA1KCNH2TRPM8
SCHEMBL8336071 0.76 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8

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
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed