SCHEMBL4695022

SCHEMBL4695022

Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)O)c3cccc(F)c3)C[C@H]2C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.73
CCL5 P13501 1/20 0.53

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
SCHEMBL4695024 1.00 CCR5 (0.73) CCR5CCL5
SCHEMBL4691587 0.94 CCR5 (0.80) CCR5CCL5
SCHEMBL4691586 0.94 CCR5 (0.80) CCR5CCL5
SCHEMBL4694689 0.92 CCR5 (0.68) CCR5
SCHEMBL4694717 0.89 CCR5 (0.61) CCR5CCL5
SCHEMBL4694720 0.89 CCR5 (0.61) CCR5CCL5
Cyclopropane SCHEMBL4691484 0.88 CCR5 (0.86) CCR5
Cyclopentane SCHEMBL4750291 0.88 CCR5 (0.86) CCR5
SCHEMBL4695642 0.88 CCR5 (0.86) CCR5
Cyclopentane SCHEMBL4693960 0.87 CCR5 (0.80) 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