SCHEMBL4354226

SCHEMBL4354226

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM5 P08912 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRM1 P11229 6/20 0.41
RAB9A P51151 1/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK14 Q16539 1/20 0.39
HPGD P15428 1/20 0.38

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 0.92 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4349657 0.91 GPR119 (0.44) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4352065 0.91 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4354023 0.91 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4540129 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NAMPTKMT2AMEN1
SCHEMBL4529951 0.90 GPR119 (0.46) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL4354303 0.90 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4356877 0.89 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4531625 0.89 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4534565 0.88 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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