SCHEMBL6993094

SCHEMBL6993094

N#Cc1cccc(NC(=O)NCCCc2cccc(N3CCC(CCc4ccccc4)CC3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.62
HTR2A P28223 4/20 0.62
CHRM4 P08173 3/20 0.57
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL7508776 0.92 CCR3 (0.73) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6330867 0.80 CCR3 (0.84) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7508770 0.80 CCR3 (0.72) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6215640 0.77 CCR3 (1.00) CCR3HTR2A
SCHEMBL6337783 0.76 CCR3 (1.00) CCR3HTR2A
SCHEMBL6330944 0.74 CCR3 (1.00) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL27495478 0.73 CHRM4 (0.49) CCR3CHRM4
SCHEMBL6993090 0.73 CCR3 (0.59) CCR3HTR2A
SCHEMBL7662474 0.73 CCR3 (0.69) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7662469 0.73 CCR3 (0.69) CCR3HTR2ASLC6A2SLC6A4SLC6A3

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-1363881-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-11-26 EP disclosed
WO-2001098269-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed