SCHEMBL9025504

SCHEMBL9025504

C=CCOC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1Cc1ccnn1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.33
CHRM1 P11229 1/20 0.33
CYP19A1 P11511 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
PLA2G4A P47712 2/20 0.30
PLA2G6 O60733 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
SCHEMBL9027979 1.00 FAAH (0.33) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL8834048 0.85 ECE1 (0.38) FAAHCHRM1CYP19A1SIGMAR1MGLL
SCHEMBL9027722 0.85 ECE1 (0.38) FAAHCHRM1CYP19A1SIGMAR1MGLL
SCHEMBL8833653 0.85 CHRM1 (0.35) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL9020169 0.82 CHRM1 (0.38) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL9215878 0.81 CHRM1 (0.37) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL9754678 0.81 CHRM1 (0.37) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL8833343 0.81 CHRM1 (0.37) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL8098583 0.81 CHRM1 (0.37) FAAHCHRM1CYP19A1SIGMAR1LMNA
SCHEMBL8834131 0.81 CHRM1 (0.35) FAAHCHRM1SIGMAR1LMNAMAPK1

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