SCHEMBL3271501

SCHEMBL3271501

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCN(C(=O)CC(C)(C)C)CC3)CC2C1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.82
CCL5 P13501 2/20 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
SCHEMBL3271091 0.92 CCR5 (0.73) CCR5CCL5
SCHEMBL5102852 0.91 CCR5 (0.69) CCR5
SCHEMBL3273167 0.90 CCR5 (1.00) CCR5CCL5
SCHEMBL3270182 0.90 CCR5 (0.90) CCR5
SCHEMBL3273285 0.89 CCR5 (0.77) CCR5CCL5
SCHEMBL3269814 0.88 CCR5 (0.76) CCR5CCL5
SCHEMBL3271451 0.88 CCR5 (0.75) CCR5CCL5
SCHEMBL3277245 0.87 CCR5 (0.75) CCR5CCL5
SCHEMBL3270468 0.86 CCR5 (0.84) CCR5CCL5
SCHEMBL3269700 0.86 CCR5 (1.00) 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
EP-2066674-B1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US claimed