SCHEMBL9126331

SCHEMBL9126331

C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)N2CCN(CCO)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.39
KCNH2 Q12809 4/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
TMEM97 Q5BJF2 2/20 0.37
CCR5 P51681 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8438315 1.00 KCNJ1 (0.39) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8543784 0.88 KCNJ1 (0.39) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8438015 0.88 KCNJ1 (0.39) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8536750 0.86 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8438589 0.86 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8440034 0.85 KCNJ1 (0.41) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8439555 0.83 KCNJ1 (0.41) KCNJ1KCNH2HRH2HRH1SIGMAR1
SCHEMBL8437949 0.83 TDP1 (0.42) CCR5ALDH1A1MAPTSMN1; SMN2
SCHEMBL8437950 0.83 TDP1 (0.42) CCR5ALDH1A1MAPTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL8537325 0.80 CCR5 (0.37) KCNJ1KCNH2HRH2HRH1SIGMAR1

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-5420119-A Bactericides SANKYO COMPANY, LIMITED (JP) 1995-05-30 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed