SCHEMBL9020481

SCHEMBL9020481

C=CCOC(=O)N1CCC(C[C@@H]2C[C@H](S)CN2C(=O)OCC=C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.36
SIGMAR1 Q99720 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
CHRM1 P11229 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
SCHEMBL9754727 1.00 NR1D1 (0.36) NR1D1SIGMAR1GPR119TEAD1TEAD3
SCHEMBL8014230 0.79 GPR119 (0.38) NR1D1SIGMAR1GPR119TEAD1TEAD3
SCHEMBL8864744 0.79 GPR119 (0.38) NR1D1SIGMAR1GPR119TEAD1TEAD3
SCHEMBL6397569 0.79 GPR119 (0.38) NR1D1SIGMAR1GPR119TEAD1TEAD3
SCHEMBL9204827 0.79 SIGMAR1 (0.33) SIGMAR1CHRM1
SCHEMBL9020712 0.78
SCHEMBL9754671 0.78
SCHEMBL9020698 0.78
SCHEMBL7805556 0.77 ECE1 (0.34) SIGMAR1
SCHEMBL9020557 0.76 CYP19A1 (0.31) 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 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