SCHEMBL4745776

SCHEMBL4745776

CCCOC1CCCC(N2CCC(=O)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
HRH3 Q9Y5N1 2/20 0.31
KCNA5 P22460 2/20 0.31
SCN5A Q14524 2/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4745773 1.00 TAAR1 (0.34) TAAR1HRH3KCNA5SCN5ACYP2D6
SCHEMBL4745772 1.00 TAAR1 (0.34) TAAR1HRH3KCNA5SCN5ACYP2D6
SCHEMBL24834975 0.85 NPC1 (0.34) TAAR1HRH3CHRM2CHRM1
SCHEMBL600900 0.82 CHRM1 (0.34) TAAR1MAPK1OPRM1OPRL1CHRM2
SCHEMBL600899 0.82 CHRM1 (0.34) TAAR1MAPK1OPRM1OPRL1CHRM2
SCHEMBL14042280 0.80 DPP4 (0.36) HRH3CYP2D6MAPK1
SCHEMBL4748656 0.80 DPP4 (0.36) HRH3CYP2D6MAPK1
SCHEMBL4745995 0.79 DPP4 (0.33) TAAR1
SCHEMBL4745991 0.79 DPP4 (0.33) TAAR1
SCHEMBL4745992 0.79 DPP4 (0.33) TAAR1

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-2008119715-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