SCHEMBL4691069

SCHEMBL4691069

Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)O)c3ccccn3)C[C@H]2C1.FC1(F)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.62

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 SCHEMBL4692203 0.93 CCR5 (0.65) CCR5
SCHEMBL4694625 0.88 CCR5 (0.79) CCR5
SCHEMBL4696475 0.83 CCR5 (0.73) CCR5
SCHEMBL4694689 0.82 CCR5 (0.68) CCR5
SCHEMBL4696654 0.80 CCR5 (0.78) CCR5
SCHEMBL5238746 0.80 CCR5 (0.60) CCR5
Cyclopropane SCHEMBL4691484 0.80 CCR5 (0.86) CCR5
SCHEMBL4695642 0.80 CCR5 (0.86) CCR5
Cyclopentane SCHEMBL4750291 0.80 CCR5 (0.86) CCR5
SCHEMBL4696252 0.80 CCR5 (0.76) 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