SCHEMBL4665553

SCHEMBL4665553

COc1cccc(CC2CCC(O)(Cc3cccc(F)c3)C(N(C)C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAOB P27338 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SIGMAR1 Q99720 1/20 0.39
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4665646 0.87 OPRK1 (0.48) EEDOPRD1OPRK1HTR1ASLC6A4
SCHEMBL4665484 0.79 SLC6A2 (0.45) EEDOPRD1OPRK1SLC6A4KMT2A
SCHEMBL4663491 0.76 SLC6A4 (0.47) EEDOPRD1OPRK1HTR1ASLC6A4
SCHEMBL4664062 0.75 OPRK1 (0.48) EEDOPRD1OPRK1HTR1ASLC6A4
SCHEMBL4663475 0.73 OPRD1 (0.39) OPRD1OPRK1SLC6A4KMT2AMEN1
SCHEMBL4664178 0.72 OPRK1 (0.41) EEDOPRD1OPRK1SLC6A4KMT2A
SCHEMBL4665351 0.71 OPRK1 (0.45) EEDOPRD1OPRK1SLC6A4KMT2A
SCHEMBL5344908 0.71 SLC6A4 (0.49) EEDOPRD1OPRK1HTR1ASLC6A4
SCHEMBL4665319 0.71 SLC6A4 (0.51) EEDOPRD1OPRK1HTR1ASLC6A4
SCHEMBL4663539 0.71 SLC6A4 (0.47) EEDOPRD1OPRK1HTR1ASLC6A4

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