SCHEMBL6983565

SCHEMBL6983565

CC(=O)c1cccc(NC(=O)NC2CCN(C(C)=O)CC2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.83
CYP2D6 P10635 4/20 0.83
HTR2A P28223 2/20 0.83
DRD2 P14416 1/20 0.83
SLC6A2 P23975 1/20 0.83
SLC6A4 P31645 1/20 0.83
SLC6A3 Q01959 1/20 0.83
KCNH2 Q12809 1/20 0.83

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
SCHEMBL6344475 1.00 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6344473 1.00 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6347861 0.94 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6347865 0.94 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6357327 0.94 CCR3 (0.82) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6357330 0.94 CCR3 (0.82) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6348768 0.93 CCR3 (0.79) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6348762 0.93 CCR3 (0.79) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6344705 0.93 CCR3 (0.76) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6345592 0.93 CCR3 (0.78) CCR3CYP2D6HTR2ADRD2SLC6A2

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-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP claimed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO claimed