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Sugi Predict / Compounds / SCHEMBL4691723

SCHEMBL4691723

SCHEMBL4691723

Cc1ccc(N(CCCN2CC3=CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ CCR5 P51681 19/20 0.37

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
SCHEMBL4693970 0.94 CCR5 (0.37) KCNH2CCR5
SCHEMBL4694203 0.92 CCR5 (0.38) KCNH2CCR5
SCHEMBL4696402 0.91 CCR5 (0.37) KCNH2CCR5
SCHEMBL4691350 0.90 CCR5 (0.36) KCNH2CCR5
SCHEMBL4691721 0.88 CCR5 (0.41) KCNH2CCR5
SCHEMBL4696268 0.86 CCR5 (0.39) KCNH2CCR5
SCHEMBL4694419 0.84 CCR5 (0.36) KCNH2CCR5
SCHEMBL4690306 0.84 CCR5 (0.38) KCNH2CCR5
SCHEMBL4690669 0.84 CCR5 (0.45) KCNH2CCR5
SCHEMBL4694074 0.84 MCHR1 (0.36) KCNH2CCR5

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