SCHEMBL9027880

SCHEMBL9027880

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ECE1 P42892 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM5 P41594 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
PDE4A P27815 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL9027888 1.00 FNTA (0.33) FNTAFNTBSIGMAR1ECE1GRM2
SCHEMBL9026560 0.90 PDCD1 (0.34) FNTAFNTBSIGMAR1GRM2PDE4A
SCHEMBL9027374 0.85 OPRK1 (0.33) SIGMAR1ECE1
SCHEMBL9027356 0.85 OPRK1 (0.33) SIGMAR1ECE1
SCHEMBL9027157 0.84 MMP2 (0.33) SIGMAR1GRM2
SCHEMBL9027149 0.84 MMP2 (0.33) SIGMAR1GRM2
SCHEMBL9027013 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL9027017 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL9026631 0.82 ECE1 (0.37) FNTAFNTBECE1PRMT5WDR77
SCHEMBL9027929 0.75 POLB (0.36) SIGMAR1

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