SCHEMBL8832496

SCHEMBL8832496

C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cc1cncn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.34
LMNA P02545 3/20 0.34
CYP3A4 P08684 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CYP2C9 P11712 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
CYP2A6 P11509 1/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
CYP2A13 Q16696 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9032793 0.85 CYP19A1 (0.33) SIGMAR1
SCHEMBL8834252 0.85
SCHEMBL7893593 0.85
SCHEMBL8558226 0.85
SCHEMBL8833399 0.84 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8833008 0.84 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8834015 0.83 CHRM5 (0.35) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL9214070 0.83 CHRM5 (0.35) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL8833108 0.83 CETP (0.33) SIGMAR1
SCHEMBL8832613 0.82 SNCA (0.33) SIGMAR1

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