SCHEMBL4024820

SCHEMBL4024820

O=C(NC1CCN(c2ccnc3ccc(C(F)(F)F)cc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3ccc(Cl)cc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PAK1 Q13153 1/20 0.47
P2RX7 Q99572 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR1 P25103 1/20 0.45
PDGFRB P09619 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP8B1 Q9UNU6 2/20 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
SCHEMBL4016278 0.97 DRD4 (0.51) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4025054 0.92 P2RX7 (0.54) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4025776 0.90 PAK1 (0.50) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4018426 0.88 PAK1 (0.59) PAK1P2RX7MEN1KMT2A
SCHEMBL4019765 0.86 PAK1 (0.53) DRD4DRD2HTR2ADRD3PAK1
SCHEMBL4016261 0.85 DRD2 (0.47) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4582560 0.85 PAK1 (0.52) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4018523 0.85 ALDH1A1 (0.59) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4021914 0.84 PAK1 (0.63) DRD4PAK1P2RX7MEN1KMT2A
SCHEMBL4024892 0.82 MAP3K5 (0.47) DRD4HTR1ADRD2HTR2AHTR2C

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