SCHEMBL8536719

SCHEMBL8536719

CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 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
SCHEMBL8630088 1.00 CCR5 (0.40) CCR5
SCHEMBL8541841 0.89 CCR5 (0.35) CCR5
SCHEMBL8541612 0.88 ALDH1A1 (0.39) CCR5
SCHEMBL8437869 0.87 CCR5 (0.38) CCR5
SCHEMBL8440492 0.87 CCR5 (0.38) CCR5
SCHEMBL8447213 0.87 GRIN2B (0.37) CCR5
SCHEMBL7450103 0.87 GRIN2B (0.37) CCR5
SCHEMBL8602692 0.87 ALDH1A1 (0.39) CCR5
SCHEMBL8435146 0.87 ALDH1A1 (0.39) CCR5
SCHEMBL7452820 0.86 CCR5 (0.34) 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-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed