SCHEMBL4018772

SCHEMBL4018772

O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1c(F)cc(F)cc1F.O=C(O)c1sccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
IDE P14735 2/20 0.45
CLK1 P49759 1/20 0.44
CCR5 P51681 1/20 0.43
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4583500 0.89 ALDH1A1 (0.57) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL14183875 0.86 ALDH1A1 (0.56) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL14183873 0.80 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTPKMMEN1
SCHEMBL4581343 0.79 ALDH1A1 (0.58) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL4024461 0.79 ALDH1A1 (0.60) MAPK1ALDH1A1MAPTPKMMEN1
SCHEMBL4016317 0.79 MAPK1 (0.59) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL4018148 0.78 MAPK1 (0.60) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL4581795 0.77 MAPK1 (0.58) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL4016311 0.77 ALDH1A1 (0.57) MAPK1NPSR1ALDH1A1MAPTPKM
SCHEMBL4016159 0.77 MAPK1 (0.57) MAPK1NPSR1ALDH1A1MAPTPKM

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
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed