SCHEMBL5404583

SCHEMBL5404583

CCCCN1C(=O)C([C@H](O)C2CCOCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.87
CXCR4 P61073 2/20 0.73

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
SCHEMBL5351358 1.00 CCR5 (0.87) CCR5CXCR4
Hydrochloric Acid SCHEMBL5340782 0.99 CCR5 (0.87) CCR5CXCR4
Hydrochloric Acid SCHEMBL6187726 0.94 CCR5 (0.93) CCR5CXCR4
Hydrochloric Acid SCHEMBL6186314 0.94 CCR5 (0.80) CCR5CXCR4
Hydrochloric Acid SCHEMBL6186404 0.94 CCR5 (0.77) CCR5CXCR4
SCHEMBL5357382 0.94 CCR5 (0.99) CCR5CXCR4
Hydrochloric Acid SCHEMBL6187478 0.93 CCR5 (0.77) CCR5CXCR4
Hydrochloric Acid SCHEMBL6190713 0.93 CCR5 (0.77) CCR5CXCR4
SCHEMBL5347183 0.93 CCR5 (1.00) CCR5CXCR4
Hydrochloric Acid SCHEMBL5356242 0.93 CCR5 (0.99) CCR5CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed