SCHEMBL9028144

SCHEMBL9028144

C=CCOC(=O)N1CC(SC(=O)c2ccccc2)CC1Cc1cnc(CC(N)=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.34
CYP19A1 P11511 1/20 0.33
PARP1 P09874 1/20 0.32
CHRM1 P11229 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 2/20 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
SCHEMBL9027688 0.90 ECE1 (0.34) ECE1CYP19A1PARP1CHRM1MEN1
SCHEMBL9026391 0.82 CYP19A1 (0.33) CYP19A1PARP1
SCHEMBL9215968 0.81 ECE1 (0.33) ECE1CYP19A1PARP1CHRM1
SCHEMBL9028139 0.80 ECE1 (0.34) ECE1CYP19A1CHRM1
SCHEMBL9027684 0.80 ECE1 (0.35) ECE1CYP19A1PARP1CHRM1MEN1
SCHEMBL9215980 0.79 ECE1 (0.37) ECE1CYP19A1CHRM1MEN1KMT2A
SCHEMBL8833492 0.79 ECE1 (0.37) ECE1CYP19A1CHRM1MEN1KMT2A
SCHEMBL9027798 0.78 ECE1 (0.36) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL9026112 0.78 ECE1 (0.36) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL8833609 0.78 ECE1 (0.38) ECE1CYP19A1CHRM1MEN1KMT2A

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