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SCHEMBL4691385

SCHEMBL4691385

CCOc1nc(C)c(C(=O)N2CC3CN(CC[CH]c4ccccc4)C[C@H]3C2)c(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 5/20 0.41
▸ HCRTR2 O43614 5/20 0.41
▸ CCL5 P13501 14/20 0.40
▸ CCR5 P51681 8/20 0.40

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
SCHEMBL4696688 0.92 CCL5 (0.40) CCL5CCR5
SCHEMBL4698176 0.91 CCR5 (0.40) HCRTR1HCRTR2CCL5CCR5
SCHEMBL4968893 0.87 CCR5 (0.39) CCL5CCR5
SCHEMBL4691440 0.87 CCR5 (0.41) CCL5CCR5
SCHEMBL4695015 0.85 CCR5 (0.40) CCL5CCR5
SCHEMBL4694907 0.85 CCL5 (0.43) CCL5CCR5
SCHEMBL4694360 0.84 CCL5 (0.39) CCL5CCR5
SCHEMBL3282165 0.84 CCL5 (0.51) CCL5CCR5
SCHEMBL3290289 0.84 CCL5 (0.51) CCL5CCR5
SCHEMBL4697093 0.83 CCL5 (0.44) CCL5CCR5

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 4 patents. 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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 — — EP disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 — — WO disclosed