SCHEMBL9198124

SCHEMBL9198124

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
FAAH O00519 3/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.36
CYP19A1 P11511 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 1/20 0.35
ELANE P08246 3/20 0.33
PARP1 P09874 1/20 0.33
F2 P00734 2/20 0.32
AGTR2 P50052 1/20 0.32
CTSG P08311 1/20 0.32
SLC6A1 P30531 1/20 0.32
SLC6A11 P48066 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL9201254 0.90 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9201263 0.90 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567202 0.89 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567198 0.89 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567199 0.89 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9197532 0.88 CHRM1 (0.37) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9196475 0.88 CHRM1 (0.37) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9197605 0.88 CHRM1 (0.37) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9595541 0.87 CHRM1 (0.36) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567207 0.87 CHRM1 (0.36) CHRM1FAAHLMNAMAPK1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411664-B1 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-18 EP disclosed
WO-1993001192-A1 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-01-21 WO disclosed
EP-0522504-A1 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1993-01-13 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed