SCHEMBL13586016

SCHEMBL13586016

COc1ccc(CC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)N(C)C)cc5)ccc4O3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 2/20 0.40
CHRM2 P08172 3/20 0.39
GHSR Q92847 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
GFER P55789 1/20 0.37

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 0.92 FKBP1A (0.43) SMN1; SMN2MAPTALDH1A1LMNAMCHR1
SCHEMBL4351462 0.84 HTR1A (0.40) ALDH1A1LMNACYP3A4KCNH2KMT2A
SCHEMBL4355465 0.83 HTR1A (0.35) ALDH1A1LMNAMCHR1CYP3A4KCNH2
SCHEMBL4364150 0.83 NAAA (0.35) ALDH1A1KCNH2HPGDGPR119
SCHEMBL4541603 0.83 GPR142 (0.48) MCHR1CYP3A4KMT2AMEN1
SCHEMBL4538463 0.83 NPY2R (0.39) ALDH1A1LMNAMCHR1CYP3A4KCNH2
SCHEMBL4361256 0.83 OPRD1 (0.46) SMN1; SMN2GAAKMT2AMEN1
SCHEMBL13586042 0.82 CYP3A4 (0.38) SMN1; SMN2MAPTALDH1A1LMNAMCHR1
SCHEMBL13586274 0.82 CTSC (0.36) LMNAMCHR1KCNH2GPR119
SCHEMBL4350045 0.81 MCHR1 (0.38) MCHR1KCNH2GPR119

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