SCHEMBL4787501

SCHEMBL4787501

CCCO[C@@H]1CCC[C@H](C(=O)OC)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
EPHX1 P07099 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
FKBP1A P62942 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
SCHEMBL4787507 1.00 SMN1; SMN2 (0.37) SMN1; SMN2EPHX2CHRNB2CHRNA4CHRNB4
SCHEMBL4787505 1.00 SMN1; SMN2 (0.37) SMN1; SMN2EPHX2CHRNB2CHRNA4CHRNB4
SCHEMBL13191752 0.87 GAA (0.40) SMN1; SMN2EPHX2CHRNB2CHRNA4CHRNB4
SCHEMBL25474475 0.84 CHRNB2 (0.44) SMN1; SMN2EPHX2CHRNB2CHRNA4CHRNB4
SCHEMBL4748850 0.83 BTK (0.40) SMN1; SMN2EPHX2TAAR1NAAA
SCHEMBL4748851 0.83 BTK (0.40) SMN1; SMN2EPHX2TAAR1NAAA
SCHEMBL4748848 0.83 BTK (0.40) SMN1; SMN2EPHX2TAAR1NAAA
SCHEMBL4916865 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4916853 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4916858 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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