SCHEMBL4357646

SCHEMBL4357646

COc1ccc(CCC(=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
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.40
MCHR1 Q99705 2/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13586016 0.92 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1HPGDMCHR1
SCHEMBL4364150 0.91 NAAA (0.35) ALDH1A1HPGDME2ME1ME3
SCHEMBL4361256 0.89 OPRD1 (0.46) FKBP1AKMT2AMEN1GAASMN1; SMN2
SCHEMBL4351462 0.86 HTR1A (0.40) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL4350045 0.86 MCHR1 (0.38) MCHR1GPR119
SCHEMBL4355465 0.85 HTR1A (0.35) ALDH1A1TSHRKDM4EMCHR1LMNA
SCHEMBL4351631 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMEN1MCHR1
SCHEMBL4538463 0.81 NPY2R (0.39) ALDH1A1TSHRMCHR1LMNAGPR119
SCHEMBL13586042 0.80 CYP3A4 (0.38) ALDH1A1TSHRMCHR1LMNAHTT
SCHEMBL4360506 0.79 GPR119 (0.47) 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