SCHEMBL10513647

SCHEMBL10513647

CNC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ TACR1 P25103 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ S1PR2 O95136 2/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL10514775 0.88 CHRM4 (0.46) EPHX2DRD2TACR1FAAHCHRM4
SCHEMBL10512960 0.87 TACR1 (0.52) EPHX2THRBDRD2TACR1USP2
SCHEMBL10515329 0.85 TRPM8 (0.57) TRPM8EPHX2THRBTRPV1FAAH
SCHEMBL10514541 0.85 THRB (0.41) TRPM8EPHX2THRBDRD2TACR1
SCHEMBL10515742 0.84 OPRM1 (0.44) EPHX2THRBDRD2TACR1OPRM1
SCHEMBL11740042 0.83 CYP3A4 (0.48) TRPV1USP2CYP3A4
SCHEMBL10515488 0.82 TACR1 (0.49) EPHX2DRD2TACR1USP2OPRM1
SCHEMBL10514900 0.81 MGLL (0.41) HDAC3HDAC1HDAC2HDAC6FAAH
SCHEMBL11224032 0.80 DRD2 (0.50) DRD2TACR1OPRM1OPRL1
SCHEMBL10513175 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6CYP3A4

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
US-4853384-A ANTICONVULSANTS; HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-08-01 — — US claimed
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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