Sugi Predict

Sugi Predict / Compounds / SCHEMBL8437869

SCHEMBL8437869

SCHEMBL8437869

N=C(N)N(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 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 17/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8440492 1.00 CCR5 (0.38) CCR5ALDH1A1LMNA
SCHEMBL8521853 0.96 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8438569 0.94 CCR5 (0.37) CCR5ALDH1A1
SCHEMBL7457623 0.90 CCR5 (0.36) CCR5ALDH1A1LMNA
SCHEMBL8440761 0.90 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8436096 0.90 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8630088 0.87 CCR5 (0.40) CCR5
SCHEMBL8536719 0.87 CCR5 (0.40) CCR5
SCHEMBL8435822 0.85 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL7452144 0.85 DPP8 (0.35) CCR5ALDH1A1LMNA

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 — — US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 — — US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 — — EP disclosed