SCHEMBL8435822

SCHEMBL8435822

CN1C[C@@H](S)C[C@H]1C(=O)N1CCC(N(C(=N)N)C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL8440761 0.96 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8436096 0.96 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8439011 0.93 ATM (0.38) CCR5ALDH1A1
SCHEMBL8521853 0.89 CCR5 (0.39) CCR5ALDH1A1LMNA
SCHEMBL8437869 0.85 CCR5 (0.38) CCR5ALDH1A1LMNA
SCHEMBL8440492 0.85 CCR5 (0.38) CCR5ALDH1A1LMNA
SCHEMBL8436425 0.83 MCHR1 (0.39) CCR5ALDH1A1
SCHEMBL5669278 0.82 SIGMAR1 (0.35) CCR5ALDH1A1LMNA
SCHEMBL8438569 0.82 CCR5 (0.37) CCR5KMT2AALDH1A1
SCHEMBL8448979 0.80 CCR5 (0.37) CCR5KMT2AALDH1A1

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