SCHEMBL4694339

SCHEMBL4694339

N[C@@H](CCN1CC2CN(C(=O)c3ccncc3Cl)CC2C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.45
CCL5 P13501 10/20 0.40

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
SCHEMBL4689905 0.87 CCR5 (0.52) CCR5CCL5
SCHEMBL3283162 0.82 CHRNB2 (0.54) CCR5CCL5
SCHEMBL4695170 0.81 CYP2D6 (0.47) CCR5CCL5
SCHEMBL4691805 0.81 CCR5 (0.65) CCR5CCL5
SCHEMBL4695274 0.80 CCR5 (0.43) CCR5CCL5
SCHEMBL4690492 0.80 KMT2A (0.51) CCR5CCL5
SCHEMBL4695119 0.79 HDAC3 (0.42) CCR5CCL5
SCHEMBL4692749 0.79 CCR5 (0.55) CCR5CCL5
SCHEMBL4694458 0.79 CCR5 (0.53) CCR5CCL5
SCHEMBL4695158 0.78 CCR5 (0.55) CCR5CCL5

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