SCHEMBL4364150

SCHEMBL4364150

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)CCc4ccc(O)cc4)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
ME2 P23368 2/20 0.33
ME1 P48163 2/20 0.33
ME3 Q16798 2/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NPY2R P49146 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 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
SCHEMBL4357646 0.91 FKBP1A (0.43) ME2ME1ME3GPR119ALDH1A1
SCHEMBL4351462 0.88 HTR1A (0.40) HRH3HTR1AKCNH2GPR119NPY2R
SCHEMBL4350045 0.88 MCHR1 (0.38) KCNH2GPR119
SCHEMBL4355465 0.87 HTR1A (0.35) HRH3HTR1AKCNH2GPR119NPY2R
SCHEMBL4361256 0.86 OPRD1 (0.46)
SCHEMBL4351631 0.84 ALDH1A1 (0.40) HRH3HTR1AKCNH2NPY2RALDH1A1
SCHEMBL4538463 0.83 NPY2R (0.39) HRH3HTR1AKCNH2GPR119NPY2R
SCHEMBL13586016 0.83 SMN1; SMN2 (0.43) KCNH2GPR119ALDH1A1HPGD
SCHEMBL13586042 0.82 CYP3A4 (0.38) HRH3HTR1AKCNH2ALDH1A1POLB
SCHEMBL4362139 0.82 MLNR (0.38) GPR119

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