SCHEMBL4350129

SCHEMBL4350129

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM5 P08912 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRM1 P11229 5/20 0.35
CD274 Q9NZQ7 1/20 0.34
LMNA P02545 1/20 0.33
PTK2 Q05397 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP11B2 P19099 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.33

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
SCHEMBL4348559 0.95 MAPK14 (0.37) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4352065 0.93 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4350015 0.92 GPR119 (0.41) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4358687 0.91 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4353651 0.91 KCNH2 (0.38) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4353425 0.90 SCD5 (0.36) KDM4EALDH1A1SMN1; SMN2GPR119
SCHEMBL4532899 0.89 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4349648 0.88 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2CHRM5CHRM2
SCHEMBL4522943 0.88 ALDH1A1 (0.36) KDM4EALDH1A1GPR119RAB9A
SCHEMBL4534628 0.88 GPR119 (0.40) CHRM2GPR119

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