SCHEMBL38514

SCHEMBL38514

O=C(O)C[C@@H]1C(=O)N(c2nc(-c3ccccc3-c3ccc(N4CC[C@@H](F)C4=O)nc3)cs2)CCCC[C@H]1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CPT1A P50416 3/20 0.32
▸ CPT2 P23786 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ F10 P00742 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ BAX Q07812 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ CPT1B Q92523 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
SCHEMBL38606 1.00 FFAR2 (0.37) FFAR2SMN1; SMN2NPC1RAB9ACPT1A
SCHEMBL38607 1.00 FFAR2 (0.37) FFAR2SMN1; SMN2NPC1RAB9ACPT1A
SCHEMBL38515 1.00 FFAR2 (0.37) FFAR2SMN1; SMN2NPC1RAB9ACPT1A
SCHEMBL38608 1.00 FFAR2 (0.37) FFAR2SMN1; SMN2NPC1RAB9ACPT1A
SCHEMBL12068025 0.92 FFAR2 (0.36) FFAR2SMN1; SMN2CPT1ACPT2CNR2
SCHEMBL38630 0.92 FFAR2 (0.36) FFAR2SMN1; SMN2CPT1ACPT2CNR2
SCHEMBL37818 0.92 FFAR2 (0.36) FFAR2SMN1; SMN2CPT1ACPT2CNR2
SCHEMBL12068020 0.92 FFAR2 (0.36) FFAR2SMN1; SMN2CPT1ACPT2CNR2
SCHEMBL38722 0.91 CNR2 (0.41) FFAR2SMN1; SMN2NPC1RAB9ACPT1A
SCHEMBL38723 0.91 CNR2 (0.41) FFAR2SMN1; SMN2NPC1RAB9ACPT1A

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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