SCHEMBL4723375

SCHEMBL4723375

COc1nc(C(F)(F)F)c(N2CCC(S(=O)(=O)CC3CC3)C2)c(C)c1C(=O)NC(C=O)C1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.31
KCNQ2 O43526 2/20 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
SCHEMBL4722285 0.74 TRPV1 (0.31)
SCHEMBL3540933 0.65 HDAC4 (0.41)
SCHEMBL4719957 0.62 HDAC4 (0.37)
SCHEMBL5918431 0.60 SLC6A9 (0.35)
SCHEMBL3543131 0.58 SLC6A9 (0.36) KCNQ3KCNQ2
SCHEMBL4719738 0.58 P2RX7 (0.37)
SCHEMBL5918354 0.56 SLC6A9 (0.43) KCNQ3KCNQ2
SCHEMBL3542527 0.56 SLC6A9 (0.51) KCNQ3KCNQ2
SCHEMBL3542529 0.56 SLC6A9 (0.51) KCNQ3KCNQ2
SCHEMBL3541164 0.56 SLC6A9 (0.36)

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 claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed