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SCHEMBL9737610

SCHEMBL9737610

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.34
▸ AVPR1A P37288 1/20 0.31

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
SCHEMBL9735052 0.86 NPSR1 (0.34) NPSR1AVPR1A
SCHEMBL9736215 0.84 NPSR1 (0.36) NPSR1AVPR1A
SCHEMBL9736565 0.79 NPSR1 (0.36) NPSR1
SCHEMBL9736218 0.75 NPSR1 (0.32) NPSR1
SCHEMBL13969328 0.72 PKM (0.37) NPSR1
SCHEMBL9735973 0.72 NPSR1 (0.33) NPSR1
SCHEMBL12442504 0.72 PKM (0.35) NPSR1
SCHEMBL13946279 0.72 PKM (0.35) NPSR1
SCHEMBL9735579 0.71 NPSR1 (0.36) NPSR1
SCHEMBL9740373 0.71 CASP1 (0.33) —

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-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