SCHEMBL4016468

SCHEMBL4016468

NC(=O)C1CC(N(C(=O)c2cccc(Cl)c2Cl)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)CCN1c1ncnc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PAK1 Q13153 3/20 0.41
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDGFRB P09619 1/20 0.36
AKT1 P31749 4/20 0.36
AKT2 P31751 2/20 0.36
AKT3 Q9Y243 2/20 0.36
PRKDC P78527 1/20 0.35
JAK1 P23458 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
SUV39H1 O43463 1/20 0.34
PRMT1 Q99873 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MAT2A P31153 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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 0.85 ALDH1A1 (0.47)
SCHEMBL4024568 0.74 PAK1 (0.68) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4017146 0.73 LMNA (0.40) CYP1A2AKT1AKT2AKT3MALT1
SCHEMBL4017659 0.73 LMNA (0.39) AKT1AKT2AKT3MALT1
SCHEMBL4016473 0.72 PAK1 (0.65) CYP1A2CYP2D6PAK1PDGFRBSUV39H1
SCHEMBL4582331 0.71 CYP1A2 (0.50) CYP1A2CYP2D6PAK1PDGFRBAKT1
SCHEMBL4023930 0.70 ALDH1A1 (0.42)
SCHEMBL4017236 0.68 CYP1A2 (0.47) CYP1A2CYP2D6PDGFRBAKT1AKT2
SCHEMBL4024856 0.68 PAK1 (0.67) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4017652 0.68 CYP1A2 (0.43) CYP1A2CYP2D6PAK1SUV39H1PRMT1

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