SCHEMBL9027356

SCHEMBL9027356

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ECE1 P42892 1/20 0.33
MMP12 P39900 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
OPRM1 P35372 4/20 0.31
CSF1R P07333 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
SCHEMBL9027374 1.00 OPRK1 (0.33) OPRK1KCNH2SIGMAR1ECE1MMP12
SCHEMBL9027003 0.89 OPRK1 (0.33) OPRK1KCNH2SIGMAR1MMP12CYP4F2
SCHEMBL9026999 0.89 OPRK1 (0.33) OPRK1KCNH2SIGMAR1MMP12CYP4F2
SCHEMBL9027888 0.85 FNTA (0.33) SIGMAR1ECE1
SCHEMBL9027880 0.85 FNTA (0.33) SIGMAR1ECE1
SCHEMBL9026520 0.83 MMP2 (0.35) OPRK1KCNH2SIGMAR1CYP4F2CYP4A11
SCHEMBL9027814 0.82 OPRM1 (0.31) OPRK1KCNH2SIGMAR1MMP12CYP4F2
SCHEMBL9027810 0.82 OPRM1 (0.31) OPRK1KCNH2SIGMAR1MMP12CYP4F2
SCHEMBL9027798 0.81 ECE1 (0.36) OPRK1KCNH2ECE1
SCHEMBL9026112 0.81 ECE1 (0.36) OPRK1KCNH2ECE1

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