SCHEMBL4023937

SCHEMBL4023937

NC1CCN(c2ccnc3cc(Cl)ccc23)CC1.O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
IDE P14735 1/20 0.46
MAPK1 P28482 2/20 0.45
CLK1 P49759 1/20 0.45
CCR5 P51681 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4017484 0.96 ALDH1A1 (0.52) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4023842 0.83 CYP1A2 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4557267 0.82 ALDH1A1 (0.54) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4023826 0.82 ALDH1A1 (0.52) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4025049 0.81 DRD2 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4018447 0.81 MEN1 (0.63) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4024048 0.77 ALDH1A1 (0.56) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4018523 0.77 ALDH1A1 (0.59) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL14183876 0.77 ALDH1A1 (0.52) ALDH1A1IDEMAPK1CLK1CCR5
SCHEMBL4018825 0.77 PKM (0.72) ALDH1A1IDEMAPK1CLK1CCR5

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 claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed