SCHEMBL4747293

SCHEMBL4747293

Cc1ccc(N(CCCN2CC3CNCC3[C@H]2C(=O)c2c(C)ccnc2C)C(=O)NC2CCCCC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.36
RAB9A P51151 1/20 0.34

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
SCHEMBL4695018 0.81 CCR5 (0.47) CCR5
SCHEMBL4691344 0.80 CCR5 (0.47) CCR5RAB9A
SCHEMBL4696397 0.79 CCR5 (0.48) CCR5RAB9A
SCHEMBL4694386 0.78 CCR5 (0.43) CCR5
SCHEMBL4691350 0.76 CCR5 (0.36) CCR5RAB9A
SCHEMBL4696402 0.76 CCR5 (0.37) CCR5
SCHEMBL4696289 0.75 THRB (0.38) RAB9A
SCHEMBL4694200 0.73 CCR5 (0.44) CCR5
SCHEMBL3282957 0.72 CCR5 (0.47) CCR5
SCHEMBL4691721 0.71 CCR5 (0.41) 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 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