SCHEMBL14423735

SCHEMBL14423735

CCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.68
KCNH2 Q12809 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.68
TRPV1 Q8NER1 1/20 0.68

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
SCHEMBL6430141 0.91 TRPA1 (0.74) TRPA1KCNH2TRPM8TRPV1
SCHEMBL14423747 0.85 TRPV1 (0.73) TRPA1KCNH2TRPM8TRPV1
SCHEMBL14423752 0.85 TRPA1 (0.70) TRPA1KCNH2TRPM8TRPV1
SCHEMBL13911578 0.85 TRPV1 (0.56) TRPA1KCNH2TRPM8TRPV1
SCHEMBL14423772 0.84 TRPV1 (0.72) TRPA1KCNH2TRPM8TRPV1
SCHEMBL15779635 0.84 TRPV1 (0.78) TRPA1KCNH2TRPM8TRPV1
SCHEMBL14423746 0.84 TRPV1 (0.78) TRPA1KCNH2TRPM8TRPV1
SCHEMBL13930770 0.83 TRPV1 (0.70) TRPA1KCNH2TRPM8TRPV1
SCHEMBL13931352 0.82 TRPV1 (0.76) TRPA1KCNH2TRPM8TRPV1
SCHEMBL3710357 0.82 TRPV1 (0.74) TRPA1KCNH2TRPM8TRPV1

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