SCHEMBL4017685

SCHEMBL4017685

NC(=O)C1CC(N(C(=O)c2c(F)cccc2I)C2CCN(c3ccnc4ccccc34)CC2)CCN1c1ccnc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
AKT1 P31749 1/20 0.33
F10 P00742 2/20 0.33
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
DPP4 P27487 1/20 0.32
CNR2 P34972 1/20 0.32
PDGFRB P09619 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CHEK2 O96017 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL4017659 0.84 LMNA (0.39) AKT1JAK2
SCHEMBL4019437 0.80 GPR119 (0.42) ADRB2NCF1HCRTR1HCRTR2AKT1
SCHEMBL4019316 0.74 L3MBTL1 (0.46) ADRB2NCF1DRD2DRD3PDGFRB
SCHEMBL4557266 0.73 ALDH1A1 (0.47)
SCHEMBL4017687 0.72 L3MBTL1 (0.42) ADRB2NCF1DRD2DRD3PDGFRB
SCHEMBL28818753 0.68 ADRB2 (0.56) ADRB2NCF1AKT1F10DRD2
SCHEMBL4023930 0.67 ALDH1A1 (0.42)
SCHEMBL4018096 0.64 NCF1 (0.42) ADRB2NCF1HCRTR1HCRTR2AKT1
SCHEMBL18980472 0.64 ADRB2 (0.51) ADRB2NCF1AKT1DRD2DRD3
SCHEMBL4017146 0.64 LMNA (0.40) AKT1JAK2

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