SCHEMBL6024372

SCHEMBL6024372

CC1(C)C[C@H](NC(=S)Nc2ccc(C#N)cc2)c2cc(F)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.50
SIRT2 Q8IXJ6 4/20 0.50
SIRT1 Q96EB6 2/20 0.47
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6024957 0.78 SIRT2 (0.62) TRPV1SIRT2SIRT1
SCHEMBL6025164 0.78 SIRT2 (0.61) TRPV1SIRT2SIRT1
SCHEMBL6025482 0.78 SIRT2 (0.61) TRPV1SIRT2SIRT1
SCHEMBL21847040 0.78 TRPV1 (0.49) TRPV1CYP3A4
SCHEMBL9529658 0.77 SIRT2 (0.52) SIRT2SIRT1
SCHEMBL9272118 0.73 SIRT2 (0.72) TRPV1SIRT2SIRT1CYP3A4
SCHEMBL9533264 0.73 SIRT2 (0.57) SIRT2SIRT1
SCHEMBL28359131 0.72 TRPV1 (0.48) TRPV1CYP3A4
SCHEMBL6024371 0.72 ABCC9 (0.35) TRPV1SIRT2CYP3A4
SCHEMBL9690460 0.71 SIRT2 (0.54) TRPV1SIRT2SIRT1

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
EP-1716141-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2006-11-02 EP claimed
WO-2005075463-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2005-08-18 WO claimed