SCHEMBL9020185

SCHEMBL9020185

CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 10/20 0.40
NR1H2 P55055 1/20 0.40
RECQL P46063 1/20 0.38
SPR P35270 3/20 0.37
USP30 Q70CQ3 1/20 0.37
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL9020656 0.94 GPR119 (0.43) JAK2JAK1GPR119RECQLHPGD
SCHEMBL9399808 0.87 RIPK1 (0.35) JAK2JAK1GPR119NR1H2SPR
SCHEMBL9399696 0.86 RIPK1 (0.34) JAK2JAK1GPR119NR1H2SPR
SCHEMBL9399942 0.85 CCR5 (0.35) JAK2JAK1GPR119NR1H2SPR
SCHEMBL9400105 0.83 NR1H2 (0.35) NR1H2RECQLSPR
SCHEMBL31040353 0.83 NR1H2 (0.35) NR1H2SPR
SCHEMBL8112414 0.83 CHRM2 (0.34) JAK2JAK1GPR119SPR
SCHEMBL9399969 0.83 CHRM2 (0.34) JAK2JAK1GPR119SPR
SCHEMBL9399192 0.82 NR1H2 (0.34) NR1H2SPR
SCHEMBL9020556 0.81 CCR5 (0.43) JAK2JAK1GPR119HPGD

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