SCHEMBL4017880

SCHEMBL4017880

NC(=O)C1CC(CC(=O)Oc2cccc(C(=O)NC3CCN(c4ccnc5cc(Cl)ccc45)CC3)c2)CCN1c1ccnc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 2/20 0.41
PDGFRB P09619 1/20 0.40
CCR5 P51681 1/20 0.40
IDE P14735 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL4017652 0.88 CYP1A2 (0.43) CCNE1CDK2
SCHEMBL4024538 0.81 CLK1 (0.52) ALDH1A1MAPK1PDGFRBIDEMEN1
SCHEMBL4018805 0.79 CCNE1 (0.56) ALDH1A1MAPK1PDGFRBIDEMEN1
SCHEMBL4017882 0.79 CLK1 (0.48) ALDH1A1MAPK1PDGFRBIDEMEN1
SCHEMBL4014341 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1CCR5IDEMEN1
SCHEMBL4015431 0.76 ALDH1A1 (0.55) ALDH1A1MAPK1CCR5IDEMEN1
SCHEMBL14214179 0.76 ALDH1A1 (0.55) ALDH1A1MAPK1CCR5IDEMEN1
SCHEMBL4016423 0.75 ALDH1A1 (0.55) ALDH1A1MAPK1CCR5IDEMEN1
SCHEMBL4018937 0.74 ALDH1A1 (0.52) ALDH1A1MAPK1CCR5IDEMEN1
SCHEMBL14252974 0.73 CLK1 (0.51) ALDH1A1MAPK1PDGFRBCCR5IDE

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