SCHEMBL1384555

SCHEMBL1384555

CN(C)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.37
PIK3CD O00329 2/20 0.36
OPRK1 P41145 1/20 0.36
P2RX7 Q99572 2/20 0.36
DYRK1A Q13627 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
AOX1 Q06278 1/20 0.35
CASR P41180 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PANK3 Q9H999 1/20 0.34
TACR3 P29371 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL1386946 0.90 CASR (0.46) EPAS1CASR
SCHEMBL1386007 0.88 MEN1 (0.42) CASRSMN1; SMN2MEN1KMT2A
SCHEMBL1383132 0.81 CASR (0.47) CASRMAPTNPSR1
SCHEMBL1385738 0.80 CASR (0.46) CASR
SCHEMBL1384720 0.80 CASR (0.46) ATG4BMKNK1CASRNPSR1
SCHEMBL1385726 0.80 CASR (0.46) ATG4BMKNK1CASR
SCHEMBL1385543 0.79 CASR (0.54) MKNK1CASRTACR3
SCHEMBL1385344 0.79 CASR (0.54) CASR
SCHEMBL3942439 0.78 ALOX5 (0.38) PIK3CDOPRK1MKNK1CYP3A4MAPT
SCHEMBL1386123 0.78 CASR (0.41) CASRSMN1; SMN2MEN1KMT2A

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
JP-4825686-B2 2011-11-30 JP claimed