SCHEMBL4019765

SCHEMBL4019765

O=C(NC1CCN(c2nccc3ccc(C(F)(F)F)cc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2nccc3ccc(Cl)cc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.53
DRD4 P21917 2/20 0.45
P2RX7 Q99572 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR1 P34998 8/20 0.44
TRPV1 Q8NER1 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 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
SCHEMBL4015953 0.97 PAK1 (0.56) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4022745 0.92 PAK1 (0.60) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4024830 0.90 PAK1 (0.56) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4018426 0.87 PAK1 (0.59) PAK1P2RX7MEN1KMT2ACRHR1
SCHEMBL4024820 0.86 DRD4 (0.48) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4024809 0.85 PAK1 (0.58) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4020834 0.85 PAK1 (0.60) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4021914 0.83 PAK1 (0.63) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4019291 0.82 PAK1 (0.63) PAK1DRD4P2RX7MEN1KMT2A
SCHEMBL4016278 0.82 DRD4 (0.51) PAK1DRD4P2RX7MEN1KMT2A

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