SCHEMBL10514596

SCHEMBL10514596

O=[N+]([O-])c1ccc(OC2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.41
OPRM1 P35372 1/20 0.40
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
HTT P42858 2/20 0.40
HTR7 P34969 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37

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
Oxalic Acid SCHEMBL11225817 0.95 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL11220939 0.86 DRD2 (0.41) ALDH1A1MAPTKDM4ETDP1ADRB1
SCHEMBL11150638 0.82 OPRM1 (0.53) OPRM1
SCHEMBL11153193 0.81 L3MBTL1 (0.47) ALDH1A1LMNASIRT6L3MBTL1SMN1; SMN2
SCHEMBL26413607 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL26413454 0.79 CES1 (0.46) MAPTTDP1L3MBTL1MEN1MAPK1
SCHEMBL11150886 0.78 CYP2D6 (0.47) ALDH1A1KDM4ETDP1OPRM1L3MBTL1
SCHEMBL11158087 0.78 KCNH2 (0.47) ALDH1A1LMNAOPRM1HTTL3MBTL1
SCHEMBL11159483 0.78 OPRM1 (0.44) ALDH1A1OPRM1SMN1; SMN2KMT2A
SCHEMBL23410201 0.78 ADRB1 (0.45) ALDH1A1MAPTKDM4ETDP1LMNA

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-0333025-A1 1-Carbonylderivatives of 4-aryl-4-aryloxypiperidines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 EP disclosed
US-4853384-A ANTICONVULSANTS; HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-08-01 US disclosed
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
US-4325953-A 4-Aryl-4-aryloxypiperidines JOHN WYETH AND BROTHER LIMITED (GB) 1982-04-20 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