SCHEMBL14423769

SCHEMBL14423769

O=C(Nc1ccc(F)cc1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.74
TRPA1 O75762 1/20 0.74
KCNH2 Q12809 1/20 0.74
TRPM8 Q7Z2W7 1/20 0.74

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
SCHEMBL14423746 0.90 TRPV1 (0.78) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13931352 0.89 TRPV1 (0.76) TRPV1TRPA1KCNH2TRPM8
SCHEMBL15779635 0.88 TRPV1 (0.78) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13930738 0.88 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13930753 0.88 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423750 0.88 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL12356642 0.87 TRPV1 (0.70) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423736 0.87 TRPV1 (0.80) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423752 0.87 TRPA1 (0.70) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3710357 0.86 TRPV1 (0.74) 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