SCHEMBL4354023

SCHEMBL4354023

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM5 P08912 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK14 Q16539 2/20 0.41
CHRM1 P11229 6/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RY12 Q9H244 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL4358687 0.95 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4348559 0.91 MAPK14 (0.37) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4354226 0.91 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4349657 0.91 GPR119 (0.44) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4532545 0.90 GPR119 (0.46) KDM4EMAPK14
SCHEMBL4361277 0.89 MAPK14 (0.40) MAPK14LMNADRD2
SCHEMBL4354303 0.89 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4356877 0.88 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4531625 0.88 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2
SCHEMBL4352059 0.87 P2RY12 (0.41) SMN1; SMN2KDM4EALDH1A1CHRM5CHRM2

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