SCHEMBL8833197

SCHEMBL8833197

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1CCn1cnc(CC(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.34
CHRM1 P11229 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
SCHEMBL9213696 1.00 ECE1 (0.34) ECE1CHRM1
SCHEMBL8832719 0.89 ECE1 (0.34) ECE1CHRM1
SCHEMBL9212162 0.86 ECE1 (0.33) ECE1CHRM1
SCHEMBL8833000 0.86 ECE1 (0.33) ECE1CHRM1
SCHEMBL8833004 0.86 ECE1 (0.33) ECE1CHRM1
SCHEMBL9214693 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL8833793 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL8833239 0.78 ECE1 (0.36) ECE1CHRM1
SCHEMBL9220923 0.78 ECE1 (0.36) ECE1CHRM1
SCHEMBL8833119 0.78 SIGMAR1 (0.31) ECE1

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-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed