SCHEMBL4695087

SCHEMBL4695087

CC(C)(CC(=O)N1CC2CN(CC[CH]c3ccccc3)C[C@H]2C1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.34
CCL5 P13501 3/20 0.32
RBP4 P02753 2/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4694498 0.84 CCR5 (0.37) CCR5CCL5
SCHEMBL4695377 0.83 CCR5 (0.37) CCR5CCL5
SCHEMBL4694111 0.81 KMT2A (0.34) CCR5RBP4
SCHEMBL4695010 0.80 KMT2A (0.38) CCR5CCL5
SCHEMBL4692781 0.80 PKM (0.36) CCR5CCL5
SCHEMBL4692061 0.77 CCR5 (0.37) CCR5CCL5
SCHEMBL4694094 0.77 CHRNB2 (0.44) CCR5
SCHEMBL4694116 0.76 HCRTR2 (0.38) CCR5
SCHEMBL4695866 0.76 CCR5 (0.36) CCR5CCL5
SCHEMBL4693785 0.75 CCR5 (0.32) CCR5

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