SCHEMBL31705697

SCHEMBL31705697

FC(F)(F)c1ccc(OCCCCCCCCN2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
HRH3 Q9Y5N1 13/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
MAOB P27338 4/20 0.52
NOS1 P29475 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
SCHEMBL7247185 0.94 HRH3 (0.60) LTA4HHRH3MEN1KMT2AALDH1A1
SCHEMBL24529993 0.90 LTA4H (0.69) LTA4HHRH3MEN1KMT2AALDH1A1
SCHEMBL6785023 0.84 LMNA (0.75) LTA4HHRH3MEN1KMT2AALDH1A1
SCHEMBL31706379 0.82 HRH3 (0.76) HRH3MEN1KMT2AALDH1A1MAPT
SCHEMBL16314571 0.81 HRH3 (0.58) LTA4HHRH3MEN1KMT2AHRH2
SCHEMBL16914838 0.81 HRH3 (0.73) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL16358244 0.81 HRH3 (0.58) HRH3MEN1KMT2AALDH1A1HRH2
SCHEMBL22266155 0.81 LTA4H (0.62) LTA4HHRH3
SCHEMBL28285428 0.80 HRH3 (0.70) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL5752269 0.79 LTA4H (0.64) LTA4HHRH3MEN1KMT2AALDH1A1

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-2025217552-A1 2-(TERT-BUTYL)-4-METHYLPHENYL APPENDED 1,4-DIAZEPANE BASED NOVEL TFEB ACTIVATING COMPOUNDS AS AUTOPHAGY MODULATORS FOR NEURODEGENERATIVE DISORDERS INCLUDING ALZHEIMER'S DISEASE (AD) MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-10-16 WO disclosed