SCHEMBL6008955

SCHEMBL6008955

CC(C)(C)OC(=O)N[C@@]12CC1CN(CCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
DRD2 P14416 1/20 0.44
NAMPT P43490 2/20 0.41
CTSK P43235 2/20 0.40
GRIN2B Q13224 1/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 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
SCHEMBL8541686 1.00 SIGMAR1 (0.44) SIGMAR1DRD2NAMPTCTSKGRIN2B
SCHEMBL9185202 0.89 KMT2A (0.46) SIGMAR1NAMPTGRIN2BKMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL9182347 0.88 KMT2A (0.45) SIGMAR1NAMPTGRIN2BKMT2AL3MBTL1
SCHEMBL14087066 0.80 NPFFR1 (0.50) SIGMAR1KMT2AL3MBTL1NPFFR1NPFFR2
SCHEMBL31085683 0.79 PDE4B (0.44) NAMPTKMT2AL3MBTL1DPP8DPP9
SCHEMBL31085684 0.79 PDE4B (0.44) NAMPTKMT2AL3MBTL1DPP8DPP9
SCHEMBL5067807 0.79 DRD2 (0.45) SIGMAR1DRD2NAMPTCTSKGRIN2B
SCHEMBL7518231 0.78 NPFFR1 (0.48) SIGMAR1KMT2AL3MBTL1NPFFR1NPFFR2
SCHEMBL34473649 0.77 KMT2A (0.47) KMT2AL3MBTL1NPFFR1NPFFR2
SCHEMBL3203686 0.76 SIGMAR1 (0.44) SIGMAR1DRD2CTSKCTSSKMT2A

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