SCHEMBL4024896

SCHEMBL4024896

O=C(NC1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2nccc3ccccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.51
DRD4 P21917 8/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NCF1 P14598 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
P2RX7 Q99572 1/20 0.43
DRD1 P21728 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL4024816 0.92 NCF1 (0.52) PAK1DRD4HTR1ADRD2HTR2A
SCHEMBL4019291 0.88 PAK1 (0.63) PAK1DRD4HTR1ADRD2HTR2A
SCHEMBL4019755 0.85 PAK1 (0.58) PAK1DRD4HTR1ADRD2HTR2A
SCHEMBL4581607 0.84 PAK1 (0.65) PAK1DRD4HTR1ADRD2HTR2A
SCHEMBL4582879 0.82 P2RX7 (0.58) PAK1DRD4HTR1ADRD2HTR2A
SCHEMBL4015953 0.81 PAK1 (0.56) PAK1DRD4MEN1KMT2AP2RX7
SCHEMBL4024830 0.81 PAK1 (0.56) PAK1DRD4MEN1KMT2AP2RX7
SCHEMBL4016289 0.81 MEN1 (0.55) PAK1DRD4MEN1KMT2AMALT1
SCHEMBL4020162 0.81 DRD4 (0.55) PAK1DRD4MEN1KMT2AMALT1
SCHEMBL4019702 0.81 P2RX7 (0.54) PAK1DRD4HTR1ADRD2HTR2A

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