SCHEMBL7304663

SCHEMBL7304663

CSCCC(NCC(c1ccccc1)c1ccccc1)C(=O)NCCC[C@@](C#N)(c1ccccc1)S(=O)(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
PGGT1B P53609 4/20 0.40
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7309109 0.88 CA1 (0.43) FNTAFNTBPGGT1BCA1
SCHEMBL7307986 0.84 FNTA (0.42) FNTAFNTBPGGT1BCNR1CNR2
SCHEMBL7316023 0.80 FNTA (0.43) FNTAFNTBPGGT1BCNR1CNR2
SCHEMBL7316944 0.74 MEN1 (0.37) SMN1; SMN2LMNA
SCHEMBL7305509 0.73 EBP (0.48) FNTAFNTBPGGT1BCA1
SCHEMBL7313580 0.73 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL7313466 0.73 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL7316235 0.73 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL7316588 0.73 TLR2 (0.45) FNTAFNTBPGGT1B
SCHEMBL7312048 0.73 FNTA (0.39) FNTAFNTBPGGT1B

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed