SCHEMBL10515488

SCHEMBL10515488

CC(=O)N1CCC(Oc2ccccc2)(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.49
▸ RORC P51449 6/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ USP2 O75604 3/20 0.42
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10512960 0.95 TACR1 (0.52) TACR1RORCDRD2USP2CYP2C19
SCHEMBL10516337 0.87 TACR1 (0.52) TACR1DRD2USP2CYP2C19ALDH1A1
SCHEMBL10513967 0.85 USP2 (0.46) USP2CYP2C19ALDH1A1MAPK1CYP1A2
SCHEMBL11740042 0.83 CYP3A4 (0.48) USP2CYP2C19ALDH1A1MAPK1CYP1A2
SCHEMBL10514541 0.83 THRB (0.41) TACR1DRD2ALDH1A1OPRM1OPRL1
SCHEMBL10513647 0.82 TRPM8 (0.43) TACR1DRD2USP2OPRM1OPRL1
SCHEMBL10515742 0.82 OPRM1 (0.44) TACR1DRD2OPRM1OPRL1EPHX2
SCHEMBL10515329 0.81 TRPM8 (0.57) EPHX2
SCHEMBL11224032 0.78 DRD2 (0.50) TACR1DRD2OPRM1OPRL1
SCHEMBL10483337 0.78 TACR1 (0.47) TACR1DRD2USP2CYP2C19ALDH1A1

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 2 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
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