SCHEMBL4532492

SCHEMBL4532492

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)Cc4cn(C)c5ccccc45)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.37
SYK P43405 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGER4 P35408 1/20 0.34
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
ACKR3 P25106 1/20 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
SCHEMBL13586012 0.85 HDAC1 (0.47) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL13586274 0.82 CTSC (0.36) LMNAMAPK1TSHRACKR3
SCHEMBL4351462 0.81 HTR1A (0.40) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4355465 0.80 HTR1A (0.35) LMNAMAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL4353770 0.80 NPY2R (0.42) ALDH1A1HSD17B10
SCHEMBL4538463 0.80 NPY2R (0.39) LMNAMAPK1ALDH1A1HSD17B10TSHR
SCHEMBL13586016 0.79 SMN1; SMN2 (0.43) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL13586042 0.79 CYP3A4 (0.38) LMNAHTTMAPTMAPK1ALDH1A1
SCHEMBL4541603 0.78 GPR142 (0.48) NPSR1MEN1KMT2ASYKCNR1
SCHEMBL4351631 0.77 ALDH1A1 (0.40) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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 claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed