SCHEMBL7544176

SCHEMBL7544176

CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.85
CYP2D6 P10635 1/20 0.70
DRD2 P14416 1/20 0.70
SLC6A2 P23975 1/20 0.70
HTR2A P28223 1/20 0.70
SLC6A4 P31645 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70

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
SCHEMBL18840902 0.92 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840930 0.88 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840721 0.88 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840936 0.87 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6344845 0.86 CCR3 (0.75) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6344843 0.86 CCR3 (0.75) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840881 0.85 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840900 0.85 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6353044 0.84 CCR3 (0.81) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6709791 0.84 CCR3 (0.81) CCR3CYP2D6DRD2SLC6A2HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161240-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1161240-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-12-12 EP claimed
WO-2000035452-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed