SCHEMBL4685651

SCHEMBL4685651

OC1(CC(OC(F)(F)F)c2ccccc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.34
SLC6A4 P31645 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM4 P08173 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4984849 0.80 CHRM2 (0.39) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL6470515 0.80 MME (0.35) CHRM2CHRM1CHRM3CHRM4OPRK1
SCHEMBL4991851 0.77 SLC6A2 (0.39) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL4540373 0.77 CHRNB2 (0.42) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL16963125 0.72 GSR (0.49) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL5695495 0.72 USP19 (0.38) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6442517 0.71 OPRM1 (0.39) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL27835347 0.69 TAAR1 (0.46) SLC6A2SLC6A4
SCHEMBL4632472 0.68 CHRNB2 (0.43) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL29013210 0.67 GAA (0.47) SLC6A2SLC6A4CHRM2CHRM1CHRM3

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-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 EP disclosed
WO-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed