SCHEMBL4605293

SCHEMBL4605293

Cc1ccc(CN(C)CCCCNC(=O)Nc2cc(C(=O)N3CCCC3)cc(-c3nnnn3C)c2)cc1C.Cc1ccc(CN(C)CCCCNC(=O)Nc2cc(C(=O)NCC3CC3)cc(-c3nnnn3C)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.49
CYP2D6 P10635 5/20 0.47

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
SCHEMBL4876289 0.94 CCR3 (0.51) CCR3CYP2D6
SCHEMBL4606343 0.93 CCR3 (0.48) CCR3CYP2D6
SCHEMBL4606115 0.92 CCR3 (0.48) CCR3CYP2D6
SCHEMBL4603428 0.89 CCR3 (0.47) CCR3CYP2D6
SCHEMBL4605678 0.87 CCR3 (0.45) CCR3CYP2D6
SCHEMBL4604788 0.86 CCR3 (0.60) CCR3CYP2D6
SCHEMBL4605178 0.85 CCR3 (0.47) CCR3CYP2D6
SCHEMBL4604471 0.85 CCR3 (0.57) CCR3CYP2D6
SCHEMBL4603378 0.84 CCR3 (0.47) CCR3CYP2D6
SCHEMBL4604462 0.84 CCR3 (0.55) CCR3CYP2D6

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-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed