SCHEMBL8319003

SCHEMBL8319003

CCOC(=O)OC12CC=CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8320745 0.81 CYP3A4 (0.45) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL928913 0.73 CYP3A4 (0.51) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3228019 0.71 CYP3A4 (0.49) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13537596 0.71 CYP3A4 (0.49) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31254224 0.71 CYP3A4 (0.49) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18428269 0.70 CYP3A4 (0.50) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14801490 0.68 KMT2A (0.37) SIGMAR1CYP2D6L3MBTL1ALDH1A1MEN1
SCHEMBL14801489 0.68 KMT2A (0.37) SIGMAR1CYP2D6L3MBTL1ALDH1A1MEN1
SCHEMBL14801488 0.68 KMT2A (0.37) SIGMAR1CYP2D6L3MBTL1ALDH1A1MEN1
SCHEMBL7378791 0.68 ALDH1A1 (0.40) SIGMAR1CYP3A4CYP2D6CYP2C19ALDH1A1

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-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP claimed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP claimed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed