SCHEMBL11266397

SCHEMBL11266397

C[N+]1([O-])CCC(Cc2ccccc2)(Oc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTDSP1 Q9GZU7 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ APOBEC3A P31941 2/20 0.32
▸ APOBEC3G Q9HC16 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL11260619 0.85 MAOA (0.34) MAOAMAOBMEN1KMT2AOPRL1
SCHEMBL11249863 0.81 OPRM1 (0.36) MAOAMAOBOPRL1OPRM1APOBEC3A
SCHEMBL11261166 0.80 MEN1 (0.34) MAOAMAOBMEN1KMT2AOPRM1
SCHEMBL11149158 0.75 MC4R (0.42) MAOAMAOBMEN1KMT2AOPRL1
SCHEMBL11153360 0.74 TACR1 (0.43) MAOAMAOBMEN1KMT2AOPRM1
SCHEMBL11258623 0.73 OPRL1 (0.36) OPRL1OPRM1OPRK1APOBEC3AAPOBEC3G
SCHEMBL11149109 0.73 KDM4E (0.47) MEN1KMT2AKDM4EOPRL1OPRM1
SCHEMBL11151306 0.71 OPRL1 (0.54) MEN1KMT2AOPRL1OPRM1ALDH1A1
SCHEMBL11155793 0.71 DRD2 (0.45) MEN1KMT2AOPRL1OPRM1
SCHEMBL11266008 0.70 DRD2 (0.37) MEN1KMT2AOPRL1ALDH1A1CYP2D6

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
US-4333942-A Anti-depressant and analgesic 4-phenoxypiperidines BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-08 — — US disclosed
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