SCHEMBL5205007

SCHEMBL5205007

CCOc1ccc(N2CCC(N3C(=O)Cc4ccc(CC(=O)O)cc43)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.42
PTGER4 P35408 1/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
FFAR1 O14842 5/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.36
NPY2R P49146 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 1/20 0.36
OXTR P30559 1/20 0.35

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
SCHEMBL5202866 0.77 ACACB (0.41) ACACBPTGER4CHRM4FFAR1GAA
SCHEMBL5204575 0.74 OPRM1 (0.47) HTR2AOPRM1OPRK1OPRL1
SCHEMBL5204148 0.73 HTR2A (0.47) HTR2AOPRM1OPRK1OPRL1
SCHEMBL10263971 0.72 OPRM1 (0.54) OPRM1OPRK1OPRL1
SCHEMBL5201290 0.72 ACACB (0.44) ACACBPTGER4FFAR1HPGDHTR2A
SCHEMBL5204586 0.70 OPRM1 (0.47) OPRM1OPRK1OPRL1
SCHEMBL5204015 0.70 OPRM1 (0.47) HTR2AOPRM1OPRK1OPRL1
SCHEMBL5201788 0.69 OPRM1 (0.47) HTR2AOPRM1OPRK1OPRL1
SCHEMBL5202790 0.69 OPRM1 (0.50) OPRM1OPRK1OPRL1
SCHEMBL5204378 0.69 ACACB (0.42) ACACBGAAHPGDSMN1; SMN2NPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179532-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR EISAI R&D MAN CO LTD (JP) 2007-06-13 EP disclosed
US-6573384-B1 1,4-substituted cyclic amine compound which is useful as a pharmaceutical, and an intermediate for the process EISAI CO., LTD. (JP) 2003-06-03 US disclosed
EP-1179532-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR Eisai Co., Ltd. (JP) 2002-02-13 EP disclosed