SCHEMBL4587622

SCHEMBL4587622

CC(N)CCN1CCC(C(Oc2cccc(F)n2)c2ccc(C#N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.39
HRH3 Q9Y5N1 3/20 0.36
MEN1 O00255 1/20 0.35
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4587531 0.91 CCR5 (0.43) CCR5HRH3MEN1
SCHEMBL4586811 0.90 CCR5 (0.46) CCR5HRH3MEN1
SCHEMBL4240166 0.84 CCR5 (0.47) CCR5HRH3
SCHEMBL4243472 0.76 GPR119 (0.47) CCR5
SCHEMBL4242209 0.74 CCR5 (0.52) CCR5HRH3
SCHEMBL4245191 0.73 CCR5 (0.55) CCR5HRH3
SCHEMBL4236541 0.73 CCR5 (0.52) CCR5HRH3
SCHEMBL4240189 0.72 CCR5 (0.74) CCR5
SCHEMBL4239850 0.66 GPR119 (0.48) CCR5
SCHEMBL4242235 0.66 MGLL (0.53) CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed