SCHEMBL182153

SCHEMBL182153

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3cc(F)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SCN9A Q15858 9/20 0.40
CALCRL Q16602 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL182152 1.00 PABPC1 (0.47) PABPC1KMT2APOLBMAPK1CTSS
SCHEMBL180947 0.91 KMT2A (0.47) PABPC1KMT2APOLBMAPK1CTSS
SCHEMBL180948 0.91 KMT2A (0.47) PABPC1KMT2APOLBMAPK1CTSS
SCHEMBL182015 0.90 CCKBR (0.43) KMT2ACALCRL
SCHEMBL181673 0.87 CCKBR (0.38) PABPC1CALCRL
SCHEMBL181674 0.87 CCKBR (0.38) PABPC1CALCRL
SCHEMBL181577 0.84 PSMB5 (0.39) CALCRL
SCHEMBL181578 0.84 PSMB5 (0.39) CALCRL
SCHEMBL181541 0.83 CCKBR (0.39) KMT2APOLB
SCHEMBL181542 0.83 CCKBR (0.39) KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401268-B1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC (JP) 2015-07-29 EP disclosed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 WO disclosed