SCHEMBL4018639

SCHEMBL4018639

O=C(NC1CCN(c2ccnc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(N4CCOCC4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.42
MAP3K5 Q99683 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 2/20 0.39
PRKDC P78527 6/20 0.39
WDR5 P61964 2/20 0.38
CNR1 P21554 2/20 0.38
KCNH2 Q12809 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4017243 0.91 PAK1 (0.49) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4018349 0.88 PAK1 (0.51) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4024014 0.86 PAK1 (0.52) PAK1MAP3K5PRKDCCNR1KCNH2
SCHEMBL4023212 0.82 PAK1 (0.52) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4021294 0.79 PAK1 (0.61) PAK1P2RX7PRKDC
SCHEMBL4582560 0.79 PAK1 (0.52) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4018523 0.79 ALDH1A1 (0.59) PAK1HTR1ADRD2DRD4HTR2A
SCHEMBL4019702 0.79 P2RX7 (0.54) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4016900 0.78 PAK1 (0.54) PAK1MAP3K5HTR1ADRD2DRD4
SCHEMBL4024415 0.77 PAK1 (0.52) PAK1MAP3K5HTR1ADRD2DRD4

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