SCHEMBL9818778

SCHEMBL9818778

CC(OC(c1ccccc1)c1ccccc1)N1CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.42
HSD11B1 P28845 2/20 0.39
MC4R P32245 1/20 0.38
KCNH2 Q12809 4/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD1 P21728 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TACR1 P25103 3/20 0.35
CHRM4 P08173 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
SCHEMBL9818808 0.81 CYP2D6 (0.53) CYP2D6MC4RKCNH2CHRM2ADRA2A
SCHEMBL9870097 0.80 SRD5A2 (0.36) CYP2D6ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6255523 0.79 MEN1 (0.56) CYP2D6KCNH2CHRM2CHRM1SLC6A3
SCHEMBL1586528 0.78 CYP2D6 (0.70) CYP2D6HSD11B1MC4RCHRM2CHRM1
SCHEMBL4601165 0.78 CYP2D6 (0.70) CYP2D6HSD11B1MC4RCHRM2CHRM1
SCHEMBL8099850 0.78 CYP2D6 (0.70) CYP2D6HSD11B1MC4RCHRM2CHRM1
SCHEMBL19613500 0.78 CYP2D6 (0.70) CYP2D6HSD11B1MC4RCHRM2CHRM1
SCHEMBL9819007 0.74 CTDSP1 (0.43) CHRM2CHRM1SLC6A3SLC6A2ALDH1A1
SCHEMBL9818874 0.74 CHRM2 (0.44) CYP2D6KCNH2CHRM2ADRA2ACHRM1
SCHEMBL28041845 0.73 CYP2D6 (0.40) CYP2D6HSD11B1MC4RKCNH2CHRM2

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-0259227-B1 BENZHYDRYLOXYETHYL PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1991-12-27 EP disclosed
US-4983614-A ANTISPASMODIC, ANTIALLERGENIC AND ANTIHISTAMINE AGENTS LES LABORATOIRES MERAM (FR) 1991-01-08 US disclosed
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 disclosed