SCHEMBL4416636

SCHEMBL4416636

CONC(=O)N(Cc1ccsc1)C1CCN(C2CNC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.52
KCNH2 Q12809 7/20 0.52
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
AGTR2 P50052 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
SCHEMBL4552231 0.81 CCR5 (0.48) CCR5KCNH2
SCHEMBL3749999 0.80 CCR5 (0.50) CCR5KCNH2
SCHEMBL3757151 0.79 GPR119 (0.50) CCR5KCNH2
SCHEMBL3749922 0.78 CCR5 (0.60) CCR5KCNH2
SCHEMBL3749924 0.78 CCR5 (0.65) CCR5KCNH2
SCHEMBL4552548 0.76 CCR5 (0.60) CCR5KCNH2
SCHEMBL4421630 0.75 CCR5 (0.52) CCR5KCNH2AGTR2
SCHEMBL4429198 0.74 CCR5 (0.63) CCR5KCNH2
SCHEMBL3763901 0.74 DRD2 (0.46) CCR5KCNH2
SCHEMBL4551934 0.74 CCR5 (0.65) CCR5KCNH2

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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed