SCHEMBL4348559

SCHEMBL4348559

CC1(COC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)NCCCO)cc5)ccc4O3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRM1 P11229 3/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 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
SCHEMBL4350129 0.95 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1CHRM5CHRM2
SCHEMBL4352065 0.92 ALDH1A1 (0.39) MAPK14KDM4ESMN1; SMN2ALDH1A1CHRM5
SCHEMBL4354023 0.91 SMN1; SMN2 (0.44) MAPK14KDM4ESMN1; SMN2ALDH1A1CHRM5
SCHEMBL4350015 0.91 GPR119 (0.41) KDM4ESMN1; SMN2ALDH1A1CHRM5CHRM2
SCHEMBL4353651 0.89 KCNH2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL4353425 0.89 SCD5 (0.36) KDM4ESMN1; SMN2ALDH1A1GPR119
SCHEMBL4532899 0.88 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1CHRM5CHRM2
SCHEMBL4349648 0.87 ALDH1A1 (0.39) KDM4ESMN1; SMN2ALDH1A1CHRM5CHRM2
SCHEMBL4532545 0.87 GPR119 (0.46) MAPK14KDM4ECD274GPR119
SCHEMBL4358687 0.86 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2ALDH1A1CHRM5CHRM2

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