SCHEMBL4023993

SCHEMBL4023993

O=C(NC1CCN(c2nccc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2nccc3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CNR1 P21554 2/20 0.38
CRHR1 P34998 2/20 0.38
MAP3K5 Q99683 2/20 0.38
DRD4 P21917 3/20 0.37
CNR2 P34972 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL4021924 0.91 PAK1 (0.50) PAK1MEN1KMT2AP2RX7TRPV1
SCHEMBL4014457 0.87 PAK1 (0.58) PAK1MEN1KMT2AP2RX7CNR1
SCHEMBL4024828 0.82 PAK1 (0.51) PAK1MEN1KMT2AP2RX7CNR1
SCHEMBL4024830 0.82 PAK1 (0.56) PAK1MEN1KMT2AP2RX7TRPV1
SCHEMBL4015953 0.80 PAK1 (0.56) PAK1MEN1KMT2AP2RX7TRPV1
SCHEMBL4027518 0.79 PAK1 (0.58) PAK1MEN1KMT2AP2RX7CNR1
SCHEMBL4019755 0.79 PAK1 (0.58) PAK1MEN1KMT2AP2RX7TRPV1
SCHEMBL4024809 0.79 PAK1 (0.58) PAK1MEN1KMT2AP2RX7CNR1
SCHEMBL4024033 0.79 PAK1 (0.56) PAK1MEN1KMT2AP2RX7TRPV1
SCHEMBL4018928 0.78 PAK1 (0.61) PAK1MEN1KMT2AP2RX7CNR1

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