SCHEMBL4664155

SCHEMBL4664155

Cc1cccc(C2(O)CCC(c3ccccc3)CC2Cc2ccccc2N(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.38
OPRD1 P41143 9/20 0.38
OPRM1 P35372 7/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATP1A1 P05023 2/20 0.35
ATP1B1 P05026 2/20 0.35
ATP1A3 P13637 2/20 0.35
ATP1B2 P14415 2/20 0.35
ATP1A2 P50993 2/20 0.35
ATP1B3 P54709 2/20 0.35
FXYD2 P54710 2/20 0.35
ATP1A4 Q13733 2/20 0.35
SLC22A1 O15245 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
TACR1 P25103 1/20 0.33
OPRL1 P41146 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
SCHEMBL4667320 0.87 OPRK1 (0.50) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL5719790 0.82 ATP1A1 (0.33) OPRD1OPRM1ATP1A1ATP1B1ATP1A3
SCHEMBL4665556 0.82 SIGMAR1 (0.39) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663552 0.78 CHRM2 (0.38) OPRK1OPRD1OPRM1ATP1A1ATP1B1
SCHEMBL4663722 0.75 MAOA (0.35) OPRK1OPRM1ATP1A1ATP1B1ATP1A3
SCHEMBL4664194 0.75 TACR1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL4667252 0.74 OPRM1 (0.37) OPRK1OPRD1OPRM1MEN1KMT2A
SCHEMBL6937417 0.73 SLC6A4 (0.67) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4664152 0.73 OPRD1 (0.41) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4665510 0.72 SIGMAR1 (0.36) OPRM1MEN1KMT2AATP1A1ATP1B1

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
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed