SCHEMBL7955727

SCHEMBL7955727

COC1CCN(C(C)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.56
HSD11B1 P28845 2/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GPR139 Q6DWJ6 1/20 0.42
TEAD1 P28347 2/20 0.41
PDE2A O00408 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
ACACB O00763 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27260858 0.81 OPRM1 (0.50) OPRM1TEAD1CHRM2CHRM1CHRM3
SCHEMBL27261780 0.78 CYP2D6 (0.42) OPRM1TEAD1CHRM2CHRM1CHRM4
SCHEMBL19538662 0.75 HRH3 (0.61)
SCHEMBL1677054 0.74 EPHX2 (0.52) OPRM1
SCHEMBL14699678 0.73 ALDH1A1 (0.65) HCRTR1TEAD1CHRM2CHRM1CARM1
SCHEMBL7956021 0.73 CARM1 (0.40) HSD11B1CARM1PRMT6FPR2PROKR1
SCHEMBL7961313 0.72 SLC6A4 (0.45) CARM1PRMT6
SCHEMBL7945321 0.71 CARM1 (0.39) HCRTR1GPR139CARM1PRMT6FPR2
SCHEMBL7950089 0.71 CARM1 (0.39) HCRTR1GPR139CARM1PRMT6FPR2
SCHEMBL7949461 0.71 HSD11B1 (0.60) HSD11B1FPR2PROKR1MEN1KMT2A

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-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed