SCHEMBL9211463

SCHEMBL9211463

C=CC1CC(O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
THRB P10828 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32

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
SCHEMBL8832963 1.00 MAPT (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8832593 0.89 MAPT (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8832969 0.89 MAPT (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL9220204 0.89 MAPT (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL16024810 0.84 MAPT (0.52) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL16023506 0.84 MAPT (0.52) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL18387532 0.80 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL1440297 0.80 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL31309170 0.80 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL1440293 0.80 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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