SCHEMBL6986042

SCHEMBL6986042

CC(=O)N1CCC(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C(NC(=O)NCCN2CCOCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.61
CYP2D6 P10635 13/20 0.61
DRD2 P14416 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR2A P28223 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL6348484 1.00 CCR3 (0.61) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348489 1.00 CCR3 (0.61) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6345614 0.92 CCR3 (0.62) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6357333 0.92 CCR3 (0.62) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6345618 0.92 CCR3 (0.62) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6357335 0.92 CCR3 (0.62) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6344722 0.92 CCR3 (0.60) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6344725 0.92 CCR3 (0.60) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6345161 0.92 CCR3 (0.54) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6342391 0.92 CCR3 (0.54) 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 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