SCHEMBL9026112

SCHEMBL9026112

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1ccnc(C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.36
OPRK1 P41145 2/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FAAH O00519 2/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL9027798 1.00 ECE1 (0.36) ECE1OPRK1KCNH2CHRM1MEN1
SCHEMBL9027719 0.89 ECE1 (0.37) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL9027724 0.89 ECE1 (0.37) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL9026631 0.87 ECE1 (0.37) ECE1CHRM1
SCHEMBL8833609 0.87 ECE1 (0.38) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL9027523 0.86 ECE1 (0.37) ECE1CHRM1FAAHMGLL
SCHEMBL9027518 0.86 ECE1 (0.37) ECE1CHRM1FAAHMGLL
SCHEMBL8833600 0.83 LMNA (0.38) ECE1CHRM1KMT2A
SCHEMBL8833492 0.83 ECE1 (0.37) ECE1CHRM1MEN1KMT2AFAAH
SCHEMBL9215980 0.83 ECE1 (0.37) ECE1CHRM1MEN1KMT2AFAAH

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