SCHEMBL4692228

SCHEMBL4692228

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)O)c3ccccc3)C[C@H]2C1.FC1(F)CCC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.77
CCL5 P13501 7/20 0.60

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
SCHEMBL4696654 0.96 CCR5 (0.78) CCR5CCL5
Cyclopentane SCHEMBL4696157 0.93 CCR5 (0.82) CCR5CCL5
SCHEMBL4692466 0.93 CCR5 (0.82) CCR5CCL5
Cyclopropane SCHEMBL4695731 0.93 CCR5 (0.82) CCR5CCL5
SCHEMBL4696252 0.90 CCR5 (0.76) CCR5
SCHEMBL4694298 0.89 CCR5 (0.77) CCR5CCL5
SCHEMBL13326700 0.89 CCR5 (0.82) CCR5
SCHEMBL5422017 0.89 CCR5 (0.82) CCR5
Cyclohexanol SCHEMBL4691916 0.87 CCR5 (0.80) CCR5CCL5
SCHEMBL4696475 0.87 CCR5 (0.73) 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 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