SCHEMBL14404667

SCHEMBL14404667

CCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(C(=O)NCc3ccc(CO)cc3)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.63

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
SCHEMBL14404605 0.96 CCR5 (0.69) CCR5
SCHEMBL5346505 0.91 CCR5 (0.67) CCR5
Hydrochloric Acid SCHEMBL5354767 0.91 CCR5 (0.68) CCR5
SCHEMBL14404842 0.89 CCR5 (0.74) CCR5
SCHEMBL5344788 0.88 CCR5 (0.73) CCR5
Hydrochloric Acid SCHEMBL5343984 0.87 CCR5 (0.74) CCR5
SCHEMBL14404722 0.86 CCR5 (0.73) CCR5
SCHEMBL14404719 0.86 CCR5 (0.75) CCR5
SCHEMBL14404843 0.84 CCR5 (0.65) CCR5
SCHEMBL5340771 0.84 CCR5 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
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 disclosed