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SCHEMBL4691499

SCHEMBL4691499

Cc1cccc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)CN3CCCCC3)c3ccccc3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 14/20 0.50
▸ NPC1 O15118 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ UTS2R Q9UKP6 2/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL4695808 0.99 CCR5 (0.51) CCR5NPC1KMT2AMEN1L3MBTL1
SCHEMBL4691501 0.89 CCR5 (0.53) CCR5
SCHEMBL4691292 0.88 CCR5 (0.54) CCR5
SCHEMBL4691323 0.87 CCR5 (0.65) CCR5
SCHEMBL4691865 0.87 CCR5 (0.52) CCR5
SCHEMBL4693077 0.87 CCR5 (0.53) CCR5
SCHEMBL4693509 0.87 CCR5 (0.51) CCR5
SCHEMBL4694215 0.87 CCR5 (0.53) CCR5
SCHEMBL4689792 0.86 CCR5 (0.54) CCR5
SCHEMBL4694123 0.86 CCR5 (0.66) CCR5UTS2RROCK2ROCK1

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-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