SCHEMBL4353770

SCHEMBL4353770

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)CC(C)(C)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.42
ME2 P23368 2/20 0.38
ME1 P48163 2/20 0.38
ME3 Q16798 2/20 0.38
USP30 Q70CQ3 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
NAMPT P43490 1/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
PARP1 P09874 1/20 0.34
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MCHR1 Q99705 2/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL4538463 0.85 NPY2R (0.39) NPY2RUSP30CYP2C9CYP3A4HTR1A
SCHEMBL4351462 0.85 HTR1A (0.40) NPY2RCYP2C9CYP3A4HTR1AKCNH2
SCHEMBL4355465 0.84 HTR1A (0.35) NPY2RCYP2C9CYP3A4HTR1AKCNH2
SCHEMBL4541603 0.83 GPR142 (0.48) NPY2RCYP2C9CYP3A4CYP1A2MCHR1
SCHEMBL4351631 0.83 ALDH1A1 (0.40) NPY2RHTR1AKCNH2HRH3ALDH1A1
SCHEMBL13586042 0.82 CYP3A4 (0.38) USP30CYP2C9CYP3A4NAMPTHTR1A
SCHEMBL4360506 0.82 GPR119 (0.47) USP30GPR119
SCHEMBL4355143 0.82 GPR119 (0.46) NPY2RUSP30CYP2C9CYP3A4GPR119
SCHEMBL4364150 0.80 NAAA (0.35) NPY2RME2ME1ME3HTR1A
SCHEMBL4532492 0.80 LMNA (0.41) ALDH1A1HSD17B10

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