SCHEMBL9027722

SCHEMBL9027722

C=CCOC(=O)N1CC(SC(=O)c2ccccc2)CC1Cc1ccnn1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.38
CHRM1 P11229 1/20 0.35
CYP19A1 P11511 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FAAH O00519 3/20 0.31
MGLL Q99685 1/20 0.31
ACE P12821 1/20 0.30
KMT2A Q03164 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
SCHEMBL8834048 1.00 ECE1 (0.38) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL8832957 0.87 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL9033190 0.87 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL9027979 0.85 FAAH (0.33) CHRM1CYP19A1SIGMAR1FAAHMGLL
SCHEMBL9213699 0.85 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL8833096 0.85 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL9025504 0.85 FAAH (0.33) CHRM1CYP19A1SIGMAR1FAAHMGLL
SCHEMBL8832778 0.84 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH
SCHEMBL8833609 0.84 ECE1 (0.38) ECE1CHRM1CYP19A1FAAHMGLL
SCHEMBL8832597 0.83 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1FAAH

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 3 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
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed