SCHEMBL13377922

SCHEMBL13377922

CC(C)(C)c1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.70
▸ TRPA1 O75762 3/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ TRPM8 Q7Z2W7 1/20 0.70
▸ CHRM4 P08173 1/20 0.58
▸ P2RY12 Q9H244 1/20 0.52
▸ CNR2 P34972 1/20 0.52

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
SCHEMBL13930828 0.90 TRPV1 (0.72) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL13377920 0.89 CHRM4 (0.59) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL14423759 0.89 P2RY12 (0.59) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL13930757 0.87 CHRM4 (0.70) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL13377921 0.87 CHRM4 (0.59) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL14423745 0.86 CHRM4 (0.56) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL13930808 0.85 TRPV1 (0.53) TRPV1TRPA1KCNH2TRPM8CHRM4
SCHEMBL29386030 0.82 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL1269620 0.82 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13930797 0.82 CHRM4 (0.60) TRPV1TRPA1KCNH2TRPM8CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472225-B1 2-PIPERAZINE-PYRIDINES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2010-04-28 — — EP disclosed
EP-2033951-A2 2-Piperazine-pyridines useful for treating pain EURO-CELTIQUE S.A. (LU) 2009-03-11 — — EP disclosed
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
Send feedback