SCHEMBL6823142

SCHEMBL6823142

OCCC1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
CXCR4 P61073 1/20 0.55
ALDH1A1 P00352 2/20 0.54
ACHE P22303 5/20 0.54
BCHE P06276 3/20 0.54
CYP2D6 P10635 2/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
BACE1 P56817 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL8340597 1.00 CCR3 (0.58) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL7337185 0.91 CYP2D6 (0.66) ALDH1A1ACHEBCHECYP2D6CYP1A2
SCHEMBL368874 0.90 CCR3 (0.67) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL8545766 0.87 CYP2D6 (0.68) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL5968994 0.87 CYP2D6 (0.68) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL1386235 0.87 CYP2D6 (0.68) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL12611607 0.84 CCR3 (0.59) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL5969011 0.84 CCR3 (0.58) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL12513916 0.84 CCR3 (0.58) CCR3CXCR4ALDH1A1ACHEBCHE
SCHEMBL4621517 0.84 CCR3 (0.58) CCR3CXCR4ALDH1A1ACHEBCHE

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-1395585-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-10 EP disclosed
WO-2002096908-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-05 WO disclosed