SCHEMBL8832695

SCHEMBL8832695

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 3/20 0.33
CYP19A1 P11511 1/20 0.33
PLA2G4A P47712 2/20 0.32
PLA2G6 O60733 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
CYP3A4 P08684 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
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
SCHEMBL9218158 1.00 CHRM1 (0.35) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9221565 0.92 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833427 0.92 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
Hydrochloric Acid SCHEMBL9221849 0.90 CHRM1 (0.35) CHRM1LMNAMAPK1RAB9AFAAH
Hydrochloric Acid SCHEMBL8832764 0.90 CHRM1 (0.35) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833343 0.88 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9215878 0.88 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020169 0.87 CHRM1 (0.38) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8098583 0.86 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9754678 0.86 CHRM1 (0.37) 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