SCHEMBL4019437

SCHEMBL4019437

NC(=O)C1CC(N(C(=O)c2ccc(-n3cccc3)cc2)C2CCN(c3ccnc4ccccc34)CC2)CCN1c1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
DPP4 P27487 1/20 0.35
ADORA2A P29274 1/20 0.35
CDK8 P49336 1/20 0.34
AKT1 P31749 1/20 0.34
F10 P00742 2/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
KCNH2 Q12809 1/20 0.33
PDGFRB P09619 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A7 Q99884 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
SCHEMBL4017146 0.84 LMNA (0.40) GPR119AKT1
SCHEMBL4582882 0.74 MAPT (0.59) ADRB2NCF1DRD2DRD3PDGFRB
SCHEMBL4557266 0.73 ALDH1A1 (0.47) RXFP1
SCHEMBL4019439 0.72 MAPT (0.54) ADRB2NCF1AKT1DRD2DRD3
SCHEMBL28818753 0.69 ADRB2 (0.56) ADRB2NCF1AKT1F10DRD2
SCHEMBL4023930 0.69 ALDH1A1 (0.42)
SCHEMBL18980472 0.66 ADRB2 (0.51) ADRB2NCF1DPP4AKT1DRD2
SCHEMBL4018096 0.66 NCF1 (0.42) HCRTR1HCRTR2ADRB2NCF1DPP4
SCHEMBL4017659 0.64 LMNA (0.39) AKT1
SCHEMBL19000116 0.64 ADRB2 (0.57) ADRB2NCF1DPP4AKT1DRD2

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