SCHEMBL4538463

SCHEMBL4538463

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.39
CLK4 Q9HAZ1 5/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR1A P08908 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 3/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
OTUD7B Q6GQQ9 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
ERN1 O75460 1/20 0.34
USP2 O75604 2/20 0.34

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
SCHEMBL4351462 0.88 HTR1A (0.40) NPY2RCLK4HSD17B10CYP1A2ALDH1A1
SCHEMBL4360506 0.87 GPR119 (0.47) GPR119USP30
SCHEMBL4355465 0.87 HTR1A (0.35) NPY2RCLK4HSD17B10CYP1A2ALDH1A1
SCHEMBL4535866 0.87 GPR119 (0.36) CYP2C9HRH3CYP3A4CYP2D6GPR119
SCHEMBL4356423 0.86 TSHR (0.41) ALDH1A1HTR1ATSHRLMNASLC9A1
SCHEMBL4534161 0.86 SCD5 (0.41) NPY2RALDH1A1KCNH2HRH3OTUD7B
SCHEMBL13586042 0.85 CYP3A4 (0.38) CLK4HSD17B10CYP1A2ALDH1A1CYP2C9
SCHEMBL4357683 0.85 POLB (0.48) ALDH1A1CYP2C9KCNH2ROCK2GPR119
SCHEMBL4353770 0.85 NPY2R (0.42) NPY2RCLK4HSD17B10CYP1A2ALDH1A1
SCHEMBL4355143 0.85 GPR119 (0.46) NPY2RCYP2C9CYP3A4CYP2D6GPR119

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 disclosed