SCHEMBL6007956

SCHEMBL6007956

C[C@@H](c1ccccc1)N(CCC#N)CC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SCN5A Q14524 1/20 0.38
KCND3 Q9UK17 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
AOC3 Q16853 3/20 0.35
TRPA1 O75762 4/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6007658 0.78 TRPA1 (0.34) TSHRALOX5KDM4EALDH1A1AOC3
SCHEMBL11813229 0.74 HSD17B10 (0.44) KCNA5KDM4EALDH1A1USP2HSD17B10
SCHEMBL9179389 0.71 ALDH1A1 (0.45) TSHRKDM4EALDH1A1MAPT
SCHEMBL29388877 0.71 KDM4E (0.54) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL6007954 0.70 CA12 (0.46) KDM4EALDH1A1AOC3MAPT
SCHEMBL9184461 0.70 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MAPT
SCHEMBL17462349 0.69 TSHR (0.41) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL9179252 0.69 TSHR (0.41) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL419892 0.69 TSHR (0.47) TSHRKDM4EALDH1A1USP2HSD17B10
SCHEMBL3931089 0.68 TRPA1 (0.48) ALOX5KDM4EALDH1A1AOC3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed