SCHEMBL7501322

SCHEMBL7501322

CCOC(=O)[C@H]1CNCC[C@H]1C(=O)OC(C)(C)CN

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 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
SCHEMBL15684403 0.85 MAPT (0.58) MAPTPKM
SCHEMBL17756105 0.85 MAPT (0.58) MAPTPKM
SCHEMBL8436600 0.82 CHRNB2 (0.32)
SCHEMBL23152247 0.80 MAPT (0.32) MAPTPKM
SCHEMBL3093516 0.80 MAPT (0.34) MAPTPKMKMT2ACYP2D6
SCHEMBL167002 0.79 SSTR4 (0.34) MAPTPKMKMT2ACYP2D6
SCHEMBL19973194 0.78 MAPT (0.33) MAPTPKM
SCHEMBL1555124 0.77 GABRR1 (0.35)
SCHEMBL661356 0.76 MAPT (0.38) MAPTPKMTSHRKMT2ACYP2D6
SCHEMBL659836 0.76 MAPT (0.38) MAPTPKMTSHRKMT2ACYP2D6

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
EP-1202987-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-05-08 EP disclosed
WO-2001007433-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed