SCHEMBL6535567

SCHEMBL6535567

CC(C)(C)OC(=O)N(C(=O)[C@@H]1CCCN1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.45
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
GHSR Q92847 4/20 0.38
ANPEP P15144 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 2/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN5A Q14524 1/20 0.37
ELANE P08246 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CTSC P53634 1/20 0.35
CYP2C9 P11712 1/20 0.34
TSHR P16473 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
SCHEMBL571717 0.80 SCN4A (0.44) SCN4ADPP4DPP8ANPEPCYP3A4
SCHEMBL9439154 0.80 HTT (0.39) CYP2D6SCN3A
SCHEMBL8165533 0.78 ACHE (0.42)
SCHEMBL7420310 0.77 SCN4A (0.43) SCN4ADPP4DPP8SCN9ASCN3A
SCHEMBL22590152 0.77 SCN4A (0.34) SCN4ADPP4DPP8SCN9ASCN3A
SCHEMBL8736767 0.76 MEN1 (0.43) CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL18580371 0.76 SCN4A (0.65) SCN4ADPP4DPP8GHSRCYP3A4
SCHEMBL6861557 0.76 SCN4A (0.43) SCN4ADPP4DPP8SCN9ASCN3A
SCHEMBL3165698 0.75 CTSC (0.43) SCN4AGHSRCYP3A4CYP2D6CYP1A2
SCHEMBL10326790 0.75 SCN4A (0.52) SCN4ADPP4DPP8GHSRANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed