SCHEMBL4597470

SCHEMBL4597470

O=C1N(C2CC3CC[C@@H](C2)O3)CC(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.43
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
NSD3 Q9BZ95 1/20 0.36

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
SCHEMBL5576591 1.00 CCR5 (0.43) CCR5CHRM2CHRM3NSD3
SCHEMBL5576594 1.00 CCR5 (0.43) CCR5CHRM2CHRM3NSD3
SCHEMBL5576598 1.00 CCR5 (0.43) CCR5CHRM2CHRM3NSD3
SCHEMBL5572538 0.88 CCR5 (0.41) CCR5
SCHEMBL3754244 0.83 CCR5 (0.53) CCR5
SCHEMBL3754248 0.83 CCR5 (0.53) CCR5
SCHEMBL4415837 0.83 CCR5 (0.60) CCR5
SCHEMBL4552225 0.83 CCR5 (0.60) CCR5
SCHEMBL4610281 0.80 CCR5 (0.52) CCR5CHRM2CHRM3
SCHEMBL5575895 0.80 CCR5 (0.52) CCR5CHRM2CHRM3

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