SCHEMBL9027003

SCHEMBL9027003

C=CCOC(=O)N1CC(O)CC1Cc1ccnc(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
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
OPRM1 P35372 8/20 0.32
POLB P06746 1/20 0.32
CSF1R P07333 1/20 0.31
MMP12 P39900 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
SCHEMBL9026999 1.00 OPRK1 (0.33) OPRK1KCNH2SIGMAR1CYP4F2CYP4A11
SCHEMBL9027356 0.89 OPRK1 (0.33) OPRK1KCNH2SIGMAR1CYP4F2CYP4A11
SCHEMBL9027374 0.89 OPRK1 (0.33) OPRK1KCNH2SIGMAR1CYP4F2CYP4A11
SCHEMBL9027929 0.87 POLB (0.36) SIGMAR1POLB
SCHEMBL9026520 0.86 MMP2 (0.35) OPRK1KCNH2SIGMAR1CYP4F2CYP4A11
SCHEMBL9026560 0.84 PDCD1 (0.34) SIGMAR1POLB
SCHEMBL9221010 0.84 SNCA (0.38) SIGMAR1POLB
SCHEMBL8832922 0.84 SNCA (0.38) SIGMAR1POLB
SCHEMBL9027579 0.83 POLB (0.34) SIGMAR1POLB
SCHEMBL9027582 0.83 POLB (0.34) SIGMAR1POLB

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