SCHEMBL28912907

SCHEMBL28912907

CC(C)(C)OC(=O)N1CC[C@@H](OCCCCc2ccc3ncccc3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 2/20 0.42
ITGB6 P18564 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
PIK3CD O00329 6/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PDE10A Q9Y233 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL28558968 0.99 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL20481266 0.88 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL20481267 0.88 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL30336019 0.88 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL28334819 0.87 LMNA (0.36) ITGAVITGB6PDE10A
SCHEMBL28562358 0.87 LMNA (0.36) ITGAVITGB6PDE10A
SCHEMBL21767609 0.87 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767607 0.87 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL28565963 0.86 LMNA (0.36) ITGAVITGB6PDE10A
SCHEMBL28571865 0.85 PRMT5 (0.39) ITGAVITGB6PRMT5WDR77GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed