SCHEMBL6986530

SCHEMBL6986530

CC(=O)c1cc(NC(=O)N[C@@H]2CCNC[C@@H]2CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.71
CYP2D6 P10635 8/20 0.65
HTR2A P28223 2/20 0.63
DRD2 P14416 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL6343897 0.92 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6343902 0.92 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6982616 0.88 CCR3 (0.70) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6345312 0.86 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6351369 0.86 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6351373 0.86 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6345316 0.86 CCR3 (0.81) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6344104 0.83 CCR3 (0.85) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6344100 0.83 CCR3 (0.85) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL18840884 0.83 CCR3 (1.00) 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 disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO disclosed