SCHEMBL8833653

SCHEMBL8833653

C=CCOC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1Cc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 3/20 0.33
CYP19A1 P11511 1/20 0.32
PLA2G4A P47712 2/20 0.32
PLA2G6 O60733 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
MGLL Q99685 1/20 0.31
CASP1 P29466 1/20 0.31
CYP3A4 P08684 1/20 0.30
SLC6A15 Q9H2J7 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL9020169 0.86 CHRM1 (0.38) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9215878 0.85 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8098583 0.85 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9754678 0.85 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833343 0.85 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9027979 0.85 FAAH (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9025504 0.85 FAAH (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9221565 0.83 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833427 0.83 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8832773 0.83 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH

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
US-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed