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SCHEMBL6065295

SCHEMBL6065295

CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cnn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ GABRA5 P31644 1/20 0.30
▸ SLC6A1 P30531 1/20 0.30
▸ KCNA5 P22460 1/20 0.30
▸ NAMPT P43490 1/20 0.30

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
SCHEMBL6065092 0.90 ITGA4 (0.35) IDO1SCN9ABCHECKS1BSKP1
SCHEMBL3114245 0.90 SLC6A1 (0.33) SLC6A1
SCHEMBL6427256 0.87 BCHE (0.35) IDO1SCN9ABCHECKS1BSKP1
SCHEMBL3114344 0.82 SLC6A1 (0.33) SLC6A1
SCHEMBL5148509 0.80 KDM4A (0.34) IDO1SCN9ABCHECKS1BSKP1
SCHEMBL6065280 0.79 — —
SCHEMBL3112862 0.79 MAPK1 (0.30) —
SCHEMBL3121409 0.76 CTSS (0.37) CKS1BSKP1SKP2RORCAKT1
SCHEMBL3123213 0.76 NTRK1 (0.35) —
SCHEMBL28758008 0.76 SCN9A (0.32) SCN9A

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
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 — — EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 — — WO disclosed