SCHEMBL4722285

SCHEMBL4722285

COc1nc(C(F)(F)F)cc(C)c1C(=O)NC(C=O)C1CCCCC1.O=S(=O)(CC1CC1)C1CCNC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL3543136 0.75 CNR2 (0.32) TRPV1
SCHEMBL3540933 0.75 HDAC4 (0.41) TRPV1
SCHEMBL4723375 0.74 KCNQ3 (0.31)
SCHEMBL5918431 0.73 SLC6A9 (0.35) TRPV1
SCHEMBL3537225 0.72 SLC6A9 (0.34) TRPV1
SCHEMBL3537221 0.72 SLC6A9 (0.34) TRPV1
SCHEMBL4719957 0.72 HDAC4 (0.37)
SCHEMBL5918354 0.70 SLC6A9 (0.43) TRPV1
SCHEMBL3542527 0.70 SLC6A9 (0.51)
SCHEMBL3542529 0.70 SLC6A9 (0.51)

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-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed