SCHEMBL4017882

SCHEMBL4017882

CC(=O)Oc1cccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1.NC1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
PDGFRB P09619 1/20 0.46
IDE P14735 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL4024538 0.96 CLK1 (0.52) CLK1RXFP1ALDH1A1CCNE1CDK2
SCHEMBL4017654 0.88 SMYD3 (0.55) CCNE1CDK2
SCHEMBL14252974 0.88 CLK1 (0.51) CLK1RXFP1ALDH1A1PDGFRBIDE
SCHEMBL4018805 0.87 CCNE1 (0.56) CLK1RXFP1ALDH1A1CCNE1CDK2
SCHEMBL4014341 0.84 ALDH1A1 (0.59) CLK1RXFP1ALDH1A1CCNE1CDK2
SCHEMBL4021963 0.83 CYP1A2 (0.49) ALDH1A1CCNE1CDK2
SCHEMBL4015431 0.83 ALDH1A1 (0.55) CLK1RXFP1ALDH1A1CCNE1CDK2
SCHEMBL14214179 0.83 ALDH1A1 (0.55) CLK1RXFP1ALDH1A1IDEMEN1
SCHEMBL4582190 0.82 CCNE1 (0.50) ALDH1A1CCNE1CDK2SMN1; SMN2
SCHEMBL4016423 0.81 ALDH1A1 (0.55) CLK1RXFP1ALDH1A1IDEMEN1

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