SCHEMBL9818776

SCHEMBL9818776

CCOC(=O)c1ccc(C(OC(C)N2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.52
NPY2R P49146 1/20 0.47
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 1/20 0.43
BCHE P06276 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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) ALDH1A1MEN1KMT2ALMNACHRM2
SCHEMBL9818773 0.76 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9819235 0.74 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9819007 0.74 CTDSP1 (0.43) OPRD1ALDH1A1SMN1; SMN2LMNACHRM2
Ethyl Benzoate SCHEMBL31518976 0.73 LMNA (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6313233 0.72 MEN1 (0.58) OPRD1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL119521 0.72 SRD5A2 (0.59) OPRD1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2870098 0.72 LMNA (0.71) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
Cyclohexane SCHEMBL2917907 0.71 CA1 (0.73) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9678668 0.71 LMNA (0.57) OPRD1ALDH1A1RAB9ASMN1; SMN2NPC1

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 6 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
US-4983614-A ANTISPASMODIC, ANTIALLERGENIC AND ANTIHISTAMINE AGENTS LES LABORATOIRES MERAM (FR) 1991-01-08 US 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
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