SCHEMBL4523985

SCHEMBL4523985

CCOC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)NCC5(O)CC5)cc4)ccc3O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
NAMPT P43490 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ENPP2 Q13822 1/20 0.38
P2RY12 Q9H244 2/20 0.37
CHRM1 P11229 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4349657 0.91 GPR119 (0.44) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4531644 0.90 GPR119 (0.47) KDM4EGPR119
SCHEMBL4360517 0.89 NAMPT (0.41) NAMPTGPR119ENPP2SMYD3
SCHEMBL4358687 0.88 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4531625 0.88 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4354226 0.88 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4352059 0.87 P2RY12 (0.41) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4358519 0.87 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4354023 0.87 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4356877 0.86 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed