SCHEMBL27200525

SCHEMBL27200525

CC(C)(C)OC(=O)N1CCC(CCSc2ccc(S(N)(=O)=O)c(F)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.50
STS P08842 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL23620977 0.84 GPR119 (0.52) GPR119SCN9AKDM4EPKM
SCHEMBL23620967 0.84 CA2 (0.55) GPR119SCN9A
SCHEMBL20502393 0.84 CA2 (0.49) GPR119STS
SCHEMBL23620931 0.80 GPR119 (0.48) GPR119SCN9AKDM4EPKM
SCHEMBL23620932 0.79 GPR119 (0.47) GPR119STS
SCHEMBL30307812 0.79 GPR119 (0.47) GPR119STS
SCHEMBL27200508 0.78 CA2 (0.47) GPR119STSKDM4EPKM
SCHEMBL5763005 0.77 GPR119 (0.51) GPR119SCN9AKDM4EPKM
SCHEMBL6011532 0.75 GPR119 (0.50) GPR119KDM4EPKM
SCHEMBL30307816 0.75 GPR119 (0.53) GPR119

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
EP-3596059-B1 HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed