SCHEMBL11249863

SCHEMBL11249863

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.36
▸ CTSK P43235 6/20 0.35
▸ CTSL P07711 4/20 0.35
▸ CTSB P07858 3/20 0.35
▸ LTA4H P09960 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ CTSS P25774 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ APOBEC3A P31941 2/20 0.31
▸ APOBEC3G Q9HC16 2/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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 0.87 MAOA (0.34) OPRM1CTSKCTSLCTSBOPRL1
SCHEMBL11261166 0.84 MEN1 (0.34) OPRM1CTSKCTSLCTSBMMP9
SCHEMBL11266397 0.81 MAOA (0.36) OPRM1OPRL1MAOAMAOBAPOBEC3A
SCHEMBL11155212 0.74 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL11155793 0.70 DRD2 (0.45) OPRM1OPRL1
SCHEMBL11149109 0.70 KDM4E (0.47) OPRM1OPRL1
SCHEMBL11149158 0.69 MC4R (0.42) OPRM1LTA4HOPRL1MAOAMAOB
SCHEMBL11153360 0.68 TACR1 (0.43) OPRM1MAOAMAOB
SCHEMBL6933387 0.67 MMP2 (0.43) OPRM1LTA4HOPRL1MMP2MMP9
SCHEMBL3880114 0.67 MMP2 (0.43) OPRM1LTA4HOPRL1MMP2MMP9

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
Send feedback