SCHEMBL9027799

SCHEMBL9027799

C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1Cc1ccncc1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL9027794 1.00 GPR119 (0.33) GPR119MMP2ANPEPCYP19A1SIGMAR1
SCHEMBL9026838 0.87 PIK3CD (0.35) GPR119CYP19A1SIGMAR1
SCHEMBL9026845 0.87 PIK3CD (0.35) GPR119CYP19A1SIGMAR1
SCHEMBL8833776 0.82 SIGMAR1 (0.33) MMP2ANPEPCYP19A1SIGMAR1
SCHEMBL9220068 0.82 SIGMAR1 (0.33) MMP2ANPEPCYP19A1SIGMAR1
SCHEMBL9212026 0.81 MMP2 (0.34) MMP2ANPEPCYP19A1SIGMAR1
SCHEMBL8832958 0.81 MMP2 (0.34) MMP2ANPEPCYP19A1SIGMAR1
SCHEMBL8834267 0.80 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9215805 0.80 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9027764 0.80 MMP2 (0.34) MMP2ANPEPCYP19A1SIGMAR1

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed