SCHEMBL4350045

SCHEMBL4350045

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)CCCc4ccc(F)cc4)CC2)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.38
KCNH2 Q12809 5/20 0.37
HTR2C P28335 1/20 0.37
CYP2D6 P10635 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 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
SCHEMBL4364150 0.88 NAAA (0.35) KCNH2GPR119
SCHEMBL4351462 0.86 HTR1A (0.40) KCNH2CYP2D6GPR119
SCHEMBL4357646 0.86 FKBP1A (0.43) MCHR1GPR119
SCHEMBL4355465 0.85 HTR1A (0.35) MCHR1KCNH2CYP2D6GPR119
SCHEMBL13586274 0.85 CTSC (0.36) MCHR1KCNH2HTR2CGPR119
SCHEMBL4351631 0.82 ALDH1A1 (0.40) MCHR1KCNH2
SCHEMBL4538463 0.81 NPY2R (0.39) MCHR1KCNH2CYP2D6GPR119
SCHEMBL4361256 0.81 OPRD1 (0.46)
SCHEMBL13586016 0.81 SMN1; SMN2 (0.43) MCHR1KCNH2GPR119
SCHEMBL13586042 0.80 CYP3A4 (0.38) MCHR1KCNH2CYP2D6

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