SCHEMBL4350085

SCHEMBL4350085

O=C1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)OCc5ccccc5)CC3)O4)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT3 P36888 1/20 0.38
TGM2 P21980 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
GRIN2B Q13224 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 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
SCHEMBL4536272 0.91 KMT2A (0.43) SMN1; SMN2NPC1RAB9ACYP2C19GPR119
SCHEMBL4533655 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GPR119
SCHEMBL4355143 0.85 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GPR119
SCHEMBL4352115 0.84 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GPR119
SCHEMBL4526460 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL4351624 0.82 ENPP2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GPR119
SCHEMBL4520212 0.81 PTPN2 (0.47) SMN1; SMN2CYP2C19MEN1KMT2AHTR2B
SCHEMBL4356808 0.81 SETD7 (0.45) CYP2C19GPR119MEN1KMT2ANPSR1
SCHEMBL4529914 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4355595 0.79 POLB (0.54) SMN1; SMN2CYP2C19HTR2BCYP2C9PTPN2

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