SCHEMBL11154111

SCHEMBL11154111

CCOC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ APP P05067 3/20 0.52
▸ HRH2 P25021 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.46
▸ MGLL Q99685 2/20 0.45
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL11159629 0.87 APP (0.55) SMN1; SMN2ALDH1A1MAPTAPPHPGD
SCHEMBL10512932 0.86 ALDH1A1 (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL10513531 0.84 MGLL (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL10514900 0.83 MGLL (0.41) SMN1; SMN2ALDH1A1MGLLRAB9A
SCHEMBL11159483 0.83 OPRM1 (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDOPRD1
SCHEMBL11153193 0.81 L3MBTL1 (0.47) KMT2ASMN1; SMN2ALDH1A1LMNAMGLL
SCHEMBL10515575 0.81 ADRA1D (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL11225821 0.80 MGLL (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL11160332 0.79 ADRA1D (0.47) MGLL
SCHEMBL11150886 0.78 CYP2D6 (0.47) SMN1; SMN2ALDH1A1KDM4EMGLLOPRD1

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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