SCHEMBL4022683

SCHEMBL4022683

COC(=O)c1ccc(-c2ccc3c(N4CCC(NC(=O)c5cccc(Cl)c5Cl)CC4)ccnc3c2)cc1.O=C(NC1CCN(c2ccnc3ccc(F)cc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MELK Q14680 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 1/20 0.39
CHRM4 P08173 1/20 0.39
IDO1 P14902 2/20 0.39
MAPK1 P28482 2/20 0.38
MAP3K5 Q99683 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC2A1 P11166 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
SCHEMBL4024040 0.93 PAK1 (0.47) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4017912 0.88 PAK1 (0.46) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4023555 0.88 PAK1 (0.52) PAK1MELKP2RX7CHRM4CNR2
SCHEMBL4582560 0.87 PAK1 (0.52) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4023212 0.85 PAK1 (0.52) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4023839 0.84 MEN1 (0.52) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4021559 0.83 KDR (0.51) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4019812 0.82 PAK1 (0.58) PAK1MELKMEN1KMT2AP2RX7
SCHEMBL4020856 0.82 DRD2 (0.43) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4023506 0.81 PAK1 (0.52) PAK1HTR1ADRD2DRD4HTR2A

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