SCHEMBL4694298

SCHEMBL4694298

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)O)c3ccccc3)C[C@H]2C1.O=C1CCC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.77
CCL5 P13501 10/20 0.61

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
Cyclopropane SCHEMBL4695731 0.94 CCR5 (0.82) CCR5CCL5
SCHEMBL4692466 0.94 CCR5 (0.82) CCR5CCL5
Cyclopentane SCHEMBL4696157 0.94 CCR5 (0.82) CCR5CCL5
SCHEMBL4692228 0.89 CCR5 (0.77) CCR5CCL5
Cyclohexanol SCHEMBL4691916 0.89 CCR5 (0.80) CCR5CCL5
SCHEMBL4696654 0.87 CCR5 (0.78) CCR5CCL5
SCHEMBL13326706 0.87 CCR5 (1.00) CCR5CCL5
SCHEMBL5236045 0.87 CCR5 (0.96) CCR5CCL5
SCHEMBL5233184 0.87 CCR5 (1.00) CCR5CCL5
SCHEMBL5418329 0.87 CCR5 (1.00) CCR5CCL5

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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed