SCHEMBL31488872

SCHEMBL31488872

CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4c(F)ccc(F)c4C3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.75
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL31489075 0.91 NAMPT (0.79) NAMPT
SCHEMBL31488928 0.88 NAMPT (0.72) NAMPT
SCHEMBL31489130 0.88 NAMPT (0.72) NAMPTNPC1ALDH1A1MAPTHPGD
SCHEMBL31489158 0.87 NAMPT (0.71) NAMPT
SCHEMBL31488942 0.87 NAMPT (0.74) NAMPTNPC1ALDH1A1MAPTHPGD
SCHEMBL3707364 0.86 NAMPT (1.00) NAMPT
SCHEMBL31488913 0.85 NAMPT (0.79) NAMPTNPC1ALDH1A1MAPTHPGD
SCHEMBL31488997 0.84 NAMPT (0.75) NAMPT
SCHEMBL3701683 0.82 NAMPT (0.92) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22325022 0.82 NAMPT (0.71) NAMPTNPC1ALDH1A1MAPTHPGD

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed