SCHEMBL4355465

SCHEMBL4355465

CC(=O)CCC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N(C)C)cc4)ccc3O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPY2R P49146 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ROCK2 O75116 1/20 0.33
CLK4 Q9HAZ1 5/20 0.33
CYP3A4 P08684 4/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
MCHR1 Q99705 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 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
SCHEMBL4351462 0.94 HTR1A (0.40) HTR1AKCNH2HRH3NPY2RGPR119
SCHEMBL4351631 0.88 ALDH1A1 (0.40) HTR1AKCNH2HRH3NPY2RALDH1A1
SCHEMBL4364150 0.87 NAAA (0.35) HTR1AKCNH2HRH3NPY2RGPR119
SCHEMBL4538463 0.87 NPY2R (0.39) HTR1AKCNH2HRH3NPY2RGPR119
SCHEMBL13586042 0.86 CYP3A4 (0.38) HTR1AKCNH2HRH3CLK4CYP3A4
SCHEMBL4350045 0.85 MCHR1 (0.38) KCNH2GPR119MCHR1CYP2D6
SCHEMBL4357646 0.85 FKBP1A (0.43) KDM4EGPR119ALDH1A1MCHR1LMNA
SCHEMBL4353770 0.84 NPY2R (0.42) HTR1AKCNH2HRH3NPY2RGPR119
SCHEMBL13586016 0.83 SMN1; SMN2 (0.43) KCNH2GPR119CYP3A4HSD17B10ALDH1A1
SCHEMBL13586274 0.82 CTSC (0.36) HTR1AKCNH2HRH3GPR119MCHR1

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