SCHEMBL11153010

SCHEMBL11153010

c1ccc(CC2(Oc3ccccc3)CCN(CC3CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ SIGMAR1 Q99720 8/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL11164837 0.93 OPRL1 (0.47) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL11151306 0.82 OPRL1 (0.54) CYP2D6SIGMAR1MEN1KMT2AOPRM1
SCHEMBL11149109 0.81 KDM4E (0.47) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL11155793 0.79 DRD2 (0.45) SIGMAR1MEN1KMT2AOPRM1OPRL1
SCHEMBL11149158 0.78 MC4R (0.42) HRH3SIGMAR1MEN1KMT2AOPRM1
SCHEMBL11266008 0.78 DRD2 (0.37) CYP2D6SIGMAR1MEN1KMT2AOPRL1
SCHEMBL11165081 0.78 CYP2D6 (0.50) CYP2D6HRH3MEN1KMT2A
SCHEMBL11153352 0.77 SIGMAR1 (0.47) CYP2D6HRH1HRH3SIGMAR1EPHX2
SCHEMBL11155212 0.77 OPRM1 (0.51) SIGMAR1MEN1KMT2AOPRM1OPRL1
SCHEMBL11154795 0.76 DRD2 (0.40) CYP2D6SIGMAR1MEN1KMT2AOPRL1

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-0023706-B1 4-PHENOXY PIPERIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-03-02 — — EP disclosed
US-4333942-A Anti-depressant and analgesic 4-phenoxypiperidines BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-08 — — US disclosed
EP-0023706-A1 4-Phenoxy piperidines, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 — — EP disclosed
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