SCHEMBL9020181

SCHEMBL9020181

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=C[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 4/20 0.31
CCR2 P41597 1/20 0.30
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
TGM1 P22735 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
SCHEMBL9611275 1.00 HSD11B1 (0.32) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL1923745 1.00 HSD11B1 (0.32) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL1923747 1.00 HSD11B1 (0.32) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL143729 0.83 CHRM2 (0.34) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL142993 0.83 CHRM2 (0.34) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL15632355 0.83 NR1H2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL1882303 0.83 NR1H2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL15632374 0.83 NR1H2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL573307 0.83 NR1H2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL141264 0.83 NR1H2 (0.36) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed