SCHEMBL38330

SCHEMBL38330

O=C(O)C[C@@H]1C(=O)N(c2nc(-c3ccccc3-c3ccc(N4CCCC4=O)nc3)cs2)CCCC[C@H]1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ FFAR2 O15552 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CPT1A P50416 4/20 0.32
▸ CPT2 P23786 3/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ CPT1B Q92523 3/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PRKACA P17612 1/20 0.30
▸ ROCK1 Q13464 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
SCHEMBL38331 1.00 CNR2 (0.41) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38722 0.99 CNR2 (0.41) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38723 0.99 CNR2 (0.41) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38795 0.98 CNR2 (0.41) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38794 0.98 CNR2 (0.41) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38608 0.90 FFAR2 (0.37) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38515 0.90 FFAR2 (0.37) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38514 0.90 FFAR2 (0.37) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38606 0.90 FFAR2 (0.37) CNR2FFAR2SMN1; SMN2CPT1ACPT2
SCHEMBL38607 0.90 FFAR2 (0.37) CNR2FFAR2SMN1; SMN2CPT1ACPT2

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-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 — — WO claimed
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