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SCHEMBL7130883

SCHEMBL7130883

C=CC1(O)CCC(Cc2ccc(F)cc2)CC1CN(C)C.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1ccc(C(C)(C)C)cc1.Cc1ccccc1C1(O)CCC(Cc2ccc(F)cc2)CC1CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL7132906 0.89 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL4665521 0.85 LMNA (0.43) LMNAGAAOPRM1OPRD1OPRK1
SCHEMBL4663411 0.84 CCR3 (0.38) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL4663768 0.80 TRPA1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL4665406 0.78 OPRD1 (0.42) LMNAGAAOPRM1OPRD1OPRK1
SCHEMBL4665334 0.77 ALDH1A1 (0.48) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL4663393 0.77 OPRM1 (0.39) LMNAGAAOPRM1OPRD1OPRK1
SCHEMBL4665424 0.75 CCR5 (0.38) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL4665354 0.74 DRD2 (0.41) LMNAGAAOPRM1OPRD1OPRK1
SCHEMBL4663483 0.74 DRD2 (0.41) LMNAGAAOPRM1OPRD1OPRK1

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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 — — EP disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 — — WO disclosed