SCHEMBL4536272

SCHEMBL4536272

CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)OCc5ccccc5)CC3)O4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ACHE P22303 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HPGD P15428 2/20 0.39
GRM5 P41594 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TSHR P16473 1/20 0.39
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
FLT3 P36888 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 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
SCHEMBL4350085 0.91 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4533655 0.89 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4355143 0.88 GPR119 (0.46) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4355710 0.88 KMT2A (0.47) KMT2ASMN1; SMN2ACHEHPGDGRM5
SCHEMBL4352115 0.86 GPR119 (0.46) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4526460 0.85 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4351624 0.85 ENPP2 (0.44) KMT2ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4356808 0.83 SETD7 (0.45) KMT2ACYP2C19GPR119HPGDMEN1
SCHEMBL4355595 0.82 POLB (0.54) SMN1; SMN2ACHECYP2C19HPGDGRM5
SCHEMBL4520212 0.82 PTPN2 (0.47) KMT2ASMN1; SMN2CYP2C19HPGDTSHR

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