SCHEMBL4023930

SCHEMBL4023930

NC(=O)C1CC(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)CCN1c1ccnc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
IDE P14735 2/20 0.41
CLK1 P49759 1/20 0.40
CHKA P35790 1/20 0.40
CCR5 P51681 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4557266 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL4017484 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL4023937 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL4019437 0.69 GPR119 (0.42)
SCHEMBL4018822 0.68 CHKA (0.51) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL4023826 0.67 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL4023842 0.65 CYP1A2 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5241251 0.64 ALDH1A1 (0.72) ALDH1A1MAPK1MEN1KMT2AIDE
SCHEMBL29355072 0.64 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AIDECLK1
SCHEMBL16013619 0.64 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AIDECLK1

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