SCHEMBL4358519

SCHEMBL4358519

C=CCNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCC)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 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
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RY12 Q9H244 2/20 0.37
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.36
PKM P14618 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4354303 0.92 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4532899 0.91 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4349657 0.91 GPR119 (0.44) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4351363 0.90 GPR119 (0.46) KDM4ERAB9APOLBPKMGPR119
SCHEMBL4538200 0.89 POLB (0.42) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL4352059 0.89 P2RY12 (0.41) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
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
SCHEMBL4354023 0.87 SMN1; SMN2 (0.44) 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 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