SCHEMBL8098831

SCHEMBL8098831

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(C)(C)C[C@@H]1C[C@@H](OCc2ccccc2)CN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
BACE1 P56817 6/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
BACE2 Q9Y5Z0 4/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
ABCB1 P08183 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL8113847 0.89 L3MBTL1 (0.37) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7798759 0.78 OPRM1 (0.39) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL27736155 0.77 CTSC (0.41) L3MBTL1BACE1BACE2ABCB1OPRM1
SCHEMBL7277577 0.77 CTSC (0.41) L3MBTL1BACE1BACE2ABCB1OPRM1
SCHEMBL4775283 0.75 AGTR2 (0.39) BACE1DRD2DRD3
SCHEMBL14555331 0.74 CTSL (0.43) OPRM1OPRL1
SCHEMBL2981071 0.74 CTSL (0.43) OPRM1OPRL1
SCHEMBL13567992 0.73 L3MBTL1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL13567987 0.73 L3MBTL1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1584174 0.73 CTSL (0.42) DRD2DRD3OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed