SCHEMBL6674529

SCHEMBL6674529

CN(C)CC1CCCC2(CC1=O)OCCCO2

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6294540 0.93 GPR119 (0.33) GPR119CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL6294522 0.91 GPR119 (0.32) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL6293275 0.77
SCHEMBL6865770 0.68 HTR6 (0.39)
SCHEMBL4631245 0.68 HTR6 (0.39)
SCHEMBL4667157 0.68 METAP1 (0.30)
Hydrochloric Acid SCHEMBL8022324 0.67 CCR6 (0.32)
SCHEMBL3146259 0.67 CA1 (0.45)
SCHEMBL6865388 0.67 CA1 (0.45)
SCHEMBL5199761 0.66 METAP1 (0.33)

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-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed