SCHEMBL23933822

SCHEMBL23933822

CC(=O)NC(Cc1ccccc1)C(=O)NCCCCN

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.69
CHRND Q07001 9/20 0.66
CHRNA1 P02708 5/20 0.66
CHRNG P07510 5/20 0.66
CHRNB1 P11230 5/20 0.66
CHRNB2 P17787 1/20 0.65
CHRNB4 P30926 1/20 0.65
CHRNA3 P32297 1/20 0.65
CHRNA4 P43681 1/20 0.65
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64

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
SCHEMBL23933818 1.00 GRIA1 (0.69) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL23933904 0.96 GRIA1 (0.70) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL23933905 0.96 GRIA1 (0.70) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL10608759 0.86 CTSS (0.67) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13063710 0.85 CTSS (0.68) GRIA1CTSSCTSK
SCHEMBL13063712 0.85 CTSS (0.68) GRIA1CTSSCTSK
SCHEMBL14517024 0.84 CTSS (0.60) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL13063742 0.83 CTSS (0.70) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL7384339 0.83 CTSS (0.68) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14598323 0.83 CTSS (0.68) CHRNDCHRNA1CHRNGCHRNB1CHRNB2

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-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed