SCHEMBL4597898

SCHEMBL4597898

O=C(O)N1CCC(N2C(=O)N(C3CCN(CI)CC3)CC2c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.56
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CCR4 P51679 1/20 0.46

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
SCHEMBL4598523 0.84 CCR5 (0.60) CCR5CCR4
SCHEMBL4597857 0.75 CCR5 (0.57) CCR5CCR4
SCHEMBL4609992 0.74 CCR5 (0.89) CCR5CHRM2CHRM3CCR4
SCHEMBL4596214 0.74 CCR5 (0.89) CCR5CHRM2CHRM3CCR4
SCHEMBL4610206 0.73 CCR5 (0.54) CCR5
SCHEMBL4609356 0.73 CCR5 (0.72) CCR5CHRM2CHRM3CCR4
SCHEMBL4609349 0.73 CCR5 (0.72) CCR5CHRM2CHRM3CCR4
SCHEMBL4596720 0.73 RAB9A (0.44) CCR5
SCHEMBL5575568 0.72 CCR5 (0.71) CCR5CHRM2CHRM3CCR4
SCHEMBL4597511 0.72 CCR5 (0.71) CCR5CHRM2CHRM3CCR4

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed