SCHEMBL7461120

SCHEMBL7461120

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 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
SCHEMBL7452820 0.91 CCR5 (0.34) CCR5
SCHEMBL8448824 0.88 NR1D1 (0.34) CCR5
SCHEMBL7448989 0.88 SIGMAR1 (0.32) CCR5
SCHEMBL7461108 0.88 CCR5 (0.34) CCR5
SCHEMBL7461111 0.88 CCR5 (0.34) CCR5
SCHEMBL7448950 0.85 CCR5 (0.33) CCR5
SCHEMBL8541841 0.85 CCR5 (0.35) CCR5
SCHEMBL7451770 0.85 PKM (0.31) CCR5
SCHEMBL7561889 0.85 PKM (0.31) CCR5
SCHEMBL8536719 0.85 CCR5 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed