SCHEMBL4532282

SCHEMBL4532282

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)CCc4c[nH]c5ccccc45)CC2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
KMT2A Q03164 5/20 0.45
CDK4 P11802 7/20 0.43
CCND1 P24385 7/20 0.43
CDK2 P24941 3/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC1 Q13547 1/20 0.40
PKM P14618 1/20 0.40

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 0.93 HDAC1 (0.47) CDK4CCND1CDK2LMNAALDH1A1
SCHEMBL4351462 0.83 HTR1A (0.40) KMT2ALMNAALDH1A1MEN1HTR1A
SCHEMBL4351631 0.79 ALDH1A1 (0.40) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4353770 0.79 NPY2R (0.42) ALDH1A1HTR1A
SCHEMBL4538463 0.78 NPY2R (0.39) LMNAALDH1A1HTR1A
SCHEMBL13586042 0.78 CYP3A4 (0.38) LMNAALDH1A1MAPTSMN1; SMN2HTR1A
SCHEMBL13586274 0.76 CTSC (0.36) LMNAHTR1AHTR2C
SCHEMBL13586016 0.75 SMN1; SMN2 (0.43) KMT2ALMNAALDH1A1MEN1GAA
SCHEMBL4360506 0.74 GPR119 (0.47)
SCHEMBL4352115 0.68 GPR119 (0.46) KMT2AALDH1A1MEN1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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