SCHEMBL8095172

SCHEMBL8095172

CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.42

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
SCHEMBL7732703 0.83 CCR5 (0.53) CCR5
SCHEMBL8439868 0.78 EPHX1 (0.45)
SCHEMBL8438723 0.78 EPHX1 (0.45)
SCHEMBL7723375 0.78 CCR5 (0.43) CCR5
SCHEMBL28244568 0.77 SIGMAR1 (0.51) CCR5
SCHEMBL8439844 0.76 ATM (0.40) CCR5
Trifluoroacetic Acid SCHEMBL8095167 0.76 SLC6A2 (0.41) CCR5
SCHEMBL31095809 0.74 ALDH1A1 (0.46) CCR5
SCHEMBL8104481 0.73 CCR2 (0.38) CCR5
SCHEMBL7457947 0.73 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