SCHEMBL8095156

SCHEMBL8095156

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

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.38

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
SCHEMBL8542201 1.00 CCR5 (0.38) CCR5
SCHEMBL8110594 1.00 CCR5 (0.38) CCR5
SCHEMBL8108693 1.00 CCR5 (0.38) CCR5
SCHEMBL8110554 0.92 CCR5 (0.46) CCR5
SCHEMBL8104543 0.89 CCR5 (0.41) CCR5
SCHEMBL8102657 0.88 CCR5 (0.36) CCR5
SCHEMBL8104679 0.88 CCR5 (0.35) CCR5
SCHEMBL8535077 0.88 CCR5 (0.35) CCR5
SCHEMBL8104734 0.88 CCR5 (0.35) CCR5
SCHEMBL8095104 0.88 CCR5 (0.35) 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
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