Sugi Predict

Sugi Predict / Compounds / SCHEMBL4694017

SCHEMBL4694017

SCHEMBL4694017

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 9/20 0.43
▸ MCHR1 Q99705 6/20 0.36
▸ RORC P51449 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL4690445 0.93 EPHX2 (0.38) CCR5KCNH2EPHX2
SCHEMBL4690611 0.93 CCR5 (0.37) CCR5KCNH2EPHX2
SCHEMBL4694148 0.93 MAPT (0.36) CCR5KCNH2EPHX2
SCHEMBL4690740 0.92 CCR5 (0.42) CCR5KCNH2
SCHEMBL4694952 0.92 CCR5 (0.37) CCR5KCNH2
SCHEMBL4695361 0.91 CCR5 (0.37) CCR5KCNH2EPHX2
SCHEMBL4751512 0.91 LIMK1 (0.38) CCR5MCHR1KCNH2EPHX2
SCHEMBL4690521 0.91 CCR5 (0.34) CCR5KCNH2EPHX2
SCHEMBL4690306 0.90 CCR5 (0.38) CCR5KCNH2EPHX2
SCHEMBL4691638 0.90 CCR5 (0.37) CCR5MCHR1KCNH2

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