SCHEMBL38630

SCHEMBL38630

C[C@H]1CCN(c2ccc(-c3ccccc3-c3csc(N4CCCC[C@@H](C5CCCC5)[C@H](CC(=O)O)C4=O)n3)cn2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 4/20 0.36
▸ F10 P00742 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CPT2 P23786 3/20 0.32
▸ CPT1A P50416 3/20 0.32
▸ BAX Q07812 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CPT1B Q92523 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ USP30 Q70CQ3 2/20 0.31

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
SCHEMBL12068025 1.00 FFAR2 (0.36) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL12068020 1.00 FFAR2 (0.36) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL37818 1.00 FFAR2 (0.36) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38606 0.92 FFAR2 (0.37) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38608 0.92 FFAR2 (0.37) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38515 0.92 FFAR2 (0.37) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38514 0.92 FFAR2 (0.37) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38607 0.92 FFAR2 (0.37) FFAR2F10SMN1; SMN2CPT2CPT1A
SCHEMBL38722 0.90 CNR2 (0.41) FFAR2SMN1; SMN2CPT2CPT1ACNR2
SCHEMBL38723 0.90 CNR2 (0.41) FFAR2SMN1; SMN2CPT2CPT1ACNR2

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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