SCHEMBL4020834

SCHEMBL4020834

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.60
P2RX7 Q99572 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
DRD4 P21917 4/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MALT1 Q9UDY8 2/20 0.43
SLC6A12 P48065 1/20 0.42
CCNE1 P24864 2/20 0.42

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
SCHEMBL4022745 0.92 PAK1 (0.60) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4024310 0.92 MEN1 (0.62) PAK1MEN1KMT2ADRD4DRD2
SCHEMBL4015405 0.91 PAK1 (0.58) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4027518 0.91 PAK1 (0.58) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019291 0.89 PAK1 (0.63) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4017222 0.89 PAK1 (0.56) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4582680 0.89 MEN1 (0.49) PAK1MEN1KMT2ADRD4DRD2
SCHEMBL4024830 0.88 PAK1 (0.56) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4024515 0.88 PAK1 (0.56) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4018449 0.88 PAK1 (0.56) PAK1P2RX7MEN1KMT2ADRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 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