SCHEMBL9789599

SCHEMBL9789599

Cc1ccc2c(c1)[C@@H](NC(=O)CCl)CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.44
SIRT2 Q8IXJ6 5/20 0.43
SIRT1 Q96EB6 3/20 0.43
CYP3A4 P08684 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9581927 1.00 TRPV1 (0.44) TRPV1SIRT2SIRT1CYP3A4CNR1
SCHEMBL27898826 0.78 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL23423341 0.76 KMT2A (0.44) TRPV1SIRT2SIRT1CYP3A4
SCHEMBL6558641 0.75 TRPV1 (0.39) TRPV1SIRT2SIRT1CYP3A4
SCHEMBL6559916 0.74 TRPV1 (0.42) TRPV1SIRT2SIRT1CYP3A4
SCHEMBL23363387 0.74 TRPV1 (0.46) TRPV1SIRT2SIRT1CYP3A4
SCHEMBL4257277 0.73 CNR1 (0.54) TRPV1SIRT2SIRT1CYP3A4CNR1
SCHEMBL13090968 0.71 KMT2A (0.46) TRPV1CNR1CNR2LMNA
SCHEMBL27898825 0.70 HSD17B2 (0.53) TRPV1CYP3A4
SCHEMBL7910107 0.70 SIRT2 (0.43) TRPV1SIRT2SIRT1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075460-A Hypotensive agents BEECHAM GROUP PLC (GB) 1991-12-24 US disclosed