SCHEMBL9736737

SCHEMBL9736737

CC1(C)OCC([C@@H](CN2CCC2=O)N=CN2CCCCCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34

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
SCHEMBL9736281 0.75 PIK3CD (0.34) PIK3CD
SCHEMBL9740480 0.65 CASP1 (0.31)
SCHEMBL10447231 0.63 CA2 (0.41)
SCHEMBL13315032 0.58 ALDH1A1 (0.41)
SCHEMBL13637136 0.58 ALDH1A1 (0.43)
SCHEMBL10426939 0.57 PIK3CD (0.85) PIK3CD
SCHEMBL867810 0.57 PIK3CD (0.85) PIK3CD
SCHEMBL26863347 0.57 PIK3CD (0.85) PIK3CD
SCHEMBL12116752 0.56 CA2 (0.32)
SCHEMBL28578900 0.56

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