SCHEMBL4746146

SCHEMBL4746146

COC1(C)CCC(N2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 6/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CHRM1 P11229 2/20 0.34
CD38 P28907 1/20 0.34
ACKR3 P25106 1/20 0.33
HSP90AA1 P07900 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL22208127 0.79 POLB (0.46) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL6123413 0.78 POLB (0.38) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL1868922 0.78 EPHX2 (0.49) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL4715595 0.77 PDE7A (0.43) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL23573288 0.76 POLB (0.56) POLBHSD17B10SIGMAR1HRH3CHRM1
SCHEMBL3369574 0.76 POLB (0.51) POLBHSD17B10SIGMAR1HRH3CHRM1
SCHEMBL21847058 0.74 ALDH1A1 (0.46) POLBHSD17B10SIGMAR1
SCHEMBL4749850 0.73 CHRM1 (0.37) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL14041715 0.73
SCHEMBL3020717 0.72 CHRM1 (0.40) POLBSIGMAR1HRH3CHRM1

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
WO-2008119716-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed