SCHEMBL4016261

SCHEMBL4016261

O=C(NC1CCN(c2ccnc3c(Cl)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 3/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PAK1 Q13153 1/20 0.46
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRB P09619 1/20 0.44
CRHR1 P34998 3/20 0.43
ALDH1A1 P00352 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL4025776 0.95 PAK1 (0.50) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4016278 0.88 DRD4 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4582879 0.87 P2RX7 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024820 0.85 DRD4 (0.48) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4022833 0.85 PAK1 (0.57) DRD4PAK1P2RX7MEN1KMT2A
SCHEMBL4024816 0.85 NCF1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4023212 0.84 PAK1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4018523 0.84 ALDH1A1 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024892 0.83 MAP3K5 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4024845 0.82 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A

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 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