SCHEMBL8229362

SCHEMBL8229362

CCOC(=O)[C@H](C[C@H](Cc1ccc2cnn(CCCOC)c2c1)C(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 14/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KMO O15229 3/20 0.33
▸ ADORA1 P30542 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
SCHEMBL12053935 0.84 MAPK1 (0.38) RENMAPK1KMO
SCHEMBL8223910 0.82 MAPK1 (0.39) RENMAPK1KMO
SCHEMBL5324540 0.82 MAPK1 (0.39) RENMAPK1KMO
SCHEMBL3779683 0.78 ITGA4 (0.43) RENMAPK1KMO
SCHEMBL12053933 0.78 MAPK1 (0.40) RENMAPK1KMO
SCHEMBL8223918 0.78 MAPK1 (0.41) RENMAPK1KMO
SCHEMBL3786556 0.76 KMO (0.45) RENMAPK1KMO
SCHEMBL12053964 0.76 MAPK1 (0.38) RENMAPK1
SCHEMBL3775268 0.75 MAPK1 (0.41) RENMAPK1KMO
SCHEMBL3775264 0.75 MAPK1 (0.41) RENMAPK1KMO

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
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 — — WO disclosed
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