SCHEMBL9736218

SCHEMBL9736218

C=CCOC(=O)C(N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1CC(O)[C@H](C)O[Si](C)(C)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9735973 0.89 NPSR1 (0.33) NPSR1
SCHEMBL7636396 0.77 CASP1 (0.33)
SCHEMBL9736215 0.76 NPSR1 (0.36) NPSR1
SCHEMBL9737610 0.75 NPSR1 (0.34) NPSR1
SCHEMBL14517824 0.74 ELANE (0.34)
SCHEMBL9429055 0.74 FAAH (0.34)
SCHEMBL6892231 0.74 ELANE (0.33)
SCHEMBL13946276 0.74 ELANE (0.33)
SCHEMBL14517846 0.73 ELANE (0.32)
SCHEMBL7629806 0.73 PKM (0.32)

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-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed
WO-1990000170-A1 NOVEL 6-AMIDO-1-METHYLCARBAPENEMS MERCK & CO., INC. (US) 1990-01-11 WO disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 EP disclosed