SCHEMBL9033190

SCHEMBL9033190

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1cnnn1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.36
CYP19A1 P11511 1/20 0.35
CHRM1 P11229 1/20 0.34
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 3/20 0.31
MGLL Q99685 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
SCHEMBL8834048 0.87 ECE1 (0.38) ECE1CYP19A1CHRM1SIGMAR1KMT2A
SCHEMBL9027722 0.87 ECE1 (0.38) ECE1CYP19A1CHRM1SIGMAR1KMT2A
SCHEMBL8833096 0.86 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL9213699 0.86 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL8832778 0.83 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL8832957 0.83 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL9059569 0.82 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL8833609 0.81 ECE1 (0.38) ECE1CYP19A1CHRM1MEN1KMT2A
SCHEMBL8832597 0.81 ECE1 (0.36) ECE1CYP19A1CHRM1SIGMAR1MEN1
SCHEMBL8833600 0.81 LMNA (0.38) ECE1CHRM1KMT2A

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