SCHEMBL30336019

SCHEMBL30336019

CC(C)(C)OC(=O)N1CC[C@@H](OCCCCc2ccc3cccnc3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 3/20 0.42
ITGB6 P18564 3/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
PIK3CD O00329 9/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL20481267 1.00 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL20481266 1.00 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767609 0.99 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767607 0.99 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767721 0.97 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767722 0.97 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL20141674 0.90 ITGAV (0.41) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL28912907 0.88 ITGAV (0.42) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL20487397 0.88 ITGAV (0.39) ITGAVITGB6GPR119
SCHEMBL28334820 0.87 ITGAV (0.44) ITGAVITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283977-A Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-06-23 CN disclosed
CN-110573499-B Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-04-21 CN disclosed