SCHEMBL8739673

SCHEMBL8739673

CC1(C)CC(NC(=O)c2ccc(OC3CCNCC3)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
EZH2 Q15910 8/20 0.59
UTS2R Q9UKP6 6/20 0.56
GLA P06280 1/20 0.53
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1F P30939 1/20 0.50
HTR2B P41595 1/20 0.50
HTR6 P50406 1/20 0.50
CYP3A43 Q9HB55 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL8739662 0.94 MEN1 (0.60) MEN1KMT2AEZH2UTS2RGLA
SCHEMBL8739702 0.89 MEN1 (0.65) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739260 0.88 MEN1 (0.58) MEN1KMT2AEZH2UTS2RGLA
SCHEMBL8738911 0.83 MEN1 (0.59) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739274 0.82 EZH2 (0.67) MEN1KMT2AEZH2
SCHEMBL6119756 0.79 EZH2 (0.77) MEN1KMT2AEZH2
SCHEMBL8739365 0.77 MEN1 (0.57) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL2215999 0.77 UTS2R (0.50) MEN1KMT2AUTS2RHTR1ACYP2D6
SCHEMBL6120920 0.77 MEN1 (0.77) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8738112 0.77 EZH2 (0.79) MEN1KMT2AEZH2GLA

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed