SCHEMBL9736281

SCHEMBL9736281

CC1(C)OCC([C@H](N)CN2CCC2=O)O1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9736737 0.75 PIK3CD (0.34) PIK3CD
SCHEMBL10447231 0.70 CA2 (0.41) CA2ALDH1A1NPSR1
SCHEMBL1946817 0.69 CA2 (0.34) CA2
SCHEMBL1946172 0.69 CA2 (0.34) CA2
SCHEMBL27777151 0.69 CA2 (0.34) CA2
SCHEMBL1944725 0.69 CA2 (0.34) CA2
SCHEMBL1222856 0.69 CA2 (0.34) CA2
SCHEMBL1222860 0.69 CA2 (0.34) CA2
SCHEMBL4062303 0.69 CA2 (0.34) CA2
SCHEMBL1945654 0.67 CA2 (0.33) CA2

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