SCHEMBL4016257

SCHEMBL4016257

O=C(NC1CCN(c2ccnc3cc(C#Cc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(Nc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
DRD3 P35462 6/20 0.45
DRD4 P21917 5/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
PAK1 Q13153 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.42
PREP P48147 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DRD1 P21728 1/20 0.39
PDGFRB P09619 1/20 0.38
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL4016348 0.94 MEN1 (0.49) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4022815 0.93 DRD2 (0.50) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4017305 0.89 PAK1 (0.55) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4021705 0.84 PAK1 (0.50) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4583323 0.82 PAK1 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4023839 0.81 MEN1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4018523 0.81 ALDH1A1 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4018498 0.81 PAK1 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4019298 0.80 PAK1 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024845 0.80 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A

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