SCHEMBL14423741

SCHEMBL14423741

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 4/20 0.72
TRPV1 Q8NER1 4/20 0.63

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
SCHEMBL6430270 0.88 TRPV1 (0.79) PANK3TRPV1
SCHEMBL6430141 0.88 TRPA1 (0.74) PANK3TRPV1
SCHEMBL14423742 0.87 PANK3 (0.72) PANK3TRPV1
SCHEMBL14423733 0.84 TRPV1 (0.77) TRPV1
SCHEMBL6433401 0.84 PANK3 (1.00) PANK3TRPV1
SCHEMBL6430919 0.84 TRPV1 (0.77) PANK3TRPV1
SCHEMBL21424057 0.81 PANK3 (1.00) PANK3TRPV1
SCHEMBL14423735 0.79 TRPA1 (0.68) TRPV1
SCHEMBL14423750 0.78 TRPV1 (0.74) TRPV1
SCHEMBL21406440 0.78 PANK3 (1.00) PANK3TRPV1

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