SCHEMBL9215968

SCHEMBL9215968

C=CCOC(=O)N1CC(SC(=O)c2ccccc2)CC1CCc1ncc(C=CC(N)=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.33
CYP19A1 P11511 1/20 0.32
PARP1 P09874 1/20 0.31
CHRM1 P11229 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
SCHEMBL9218602 0.83 CYP19A1 (0.31) CYP19A1
SCHEMBL9028144 0.81 ECE1 (0.34) ECE1CYP19A1PARP1CHRM1
SCHEMBL9221004 0.80 ECE1 (0.34) ECE1CYP19A1PARP1CHRM1
SCHEMBL9027688 0.80 ECE1 (0.34) ECE1CYP19A1PARP1CHRM1
SCHEMBL8833004 0.79 ECE1 (0.33) ECE1CHRM1
SCHEMBL8833000 0.79 ECE1 (0.33) ECE1CHRM1
SCHEMBL9212162 0.79 ECE1 (0.33) ECE1CHRM1
SCHEMBL8833028 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL9543274 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL9028139 0.75 ECE1 (0.34) ECE1CYP19A1CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed