SCHEMBL9818874

SCHEMBL9818874

CC(OC(c1ccccc1)c1ccccc1)N1CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 5/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
KCNH2 Q12809 3/20 0.35
KCNA5 P22460 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 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
SCHEMBL16070776 0.80 CHRM2 (0.49) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL19741641 0.80 CHRM2 (0.49) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10672122 0.80 CHRM2 (0.49) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL11038239 0.76 CHRM2 (0.51) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL28966996 0.76 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL4523411 0.74 CYP2D6 (0.50) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL3285780 0.74 CYP2D6 (0.50) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL2132365 0.74 CYP2D6 (0.50) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9818808 0.74 CYP2D6 (0.53) CHRM2CHRM1ALDH1A1CYP2D6CYP1A2
SCHEMBL9818778 0.74 CYP2D6 (0.42) CHRM2CHRM1CHRM4CHRM5CHRM3

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-0259227-B1 BENZHYDRYLOXYETHYL PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1991-12-27 EP claimed
EP-0259227-A1 Benzhydryloxyethyl piperidine derivatives, process for their preparation and pharmaceutical compositions containing them Société anonyme: LES LABORATOIRES MERAM (FR) 1988-03-09 EP claimed