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SCHEMBL4694074

SCHEMBL4694074

Cc1ccc(N(CCCN2CC3=CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.36
▸ CCR5 P51681 8/20 0.35
▸ EPHX2 P34913 5/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL4751512 0.92 LIMK1 (0.38) MCHR1CCR5EPHX2KCNH2
SCHEMBL4690306 0.92 CCR5 (0.38) CCR5EPHX2KCNH2
SCHEMBL4690740 0.91 CCR5 (0.42) CCR5KCNH2
SCHEMBL4690445 0.91 EPHX2 (0.38) CCR5EPHX2KCNH2
SCHEMBL4690611 0.91 CCR5 (0.37) CCR5EPHX2KCNH2MAPT
SCHEMBL4694148 0.90 MAPT (0.36) CCR5EPHX2KCNH2MAPT
SCHEMBL4694952 0.90 CCR5 (0.37) CCR5KCNH2
SCHEMBL4695361 0.89 CCR5 (0.37) CCR5EPHX2KCNH2
SCHEMBL4691638 0.89 CCR5 (0.37) MCHR1CCR5KCNH2
SCHEMBL4694017 0.88 CCR5 (0.43) MCHR1CCR5EPHX2KCNH2

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