SCHEMBL4020856

SCHEMBL4020856

COC(=O)c1cccc(-c2ccc3c(N4CCC(NC(=O)c5cccc(Cl)c5Cl)CC4)ccnc3c2)c1.O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1ccc(-n2cccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD3 P35462 5/20 0.43
DRD4 P21917 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DRD1 P21728 1/20 0.40
PAK1 Q13153 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL4017912 0.90 PAK1 (0.46) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024040 0.86 PAK1 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4022683 0.82 PAK1 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4023839 0.81 MEN1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024051 0.79 PAK1 (0.57) PAK1KMT2AMEN1P2RX7CNR1
SCHEMBL4024845 0.79 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4582882 0.79 MAPT (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4016122 0.78 PAK1 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4583078 0.76 KDR (0.56) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4019812 0.75 PAK1 (0.58) PAK1KMT2AMEN1P2RX7CNR1

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