SCHEMBL31146882

SCHEMBL31146882

CN(CC1CC1)c1cc2c(cc1I)OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.35
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CTSL P07711 1/20 0.32
KMT2A Q03164 1/20 0.31
PLK1 P53350 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GRM2 Q14416 1/20 0.30
DRD2 P14416 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
HTR1F P30939 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL2995590 0.76 CHRNA7 (0.34) SLC6A4SLC6A3NPC1RAB9AHTR3E
SCHEMBL31146887 0.75 TAAR1 (0.32) SLC6A4SLC6A3HTR3EHTR3BHTR1A
SCHEMBL31146867 0.75 CYP3A4 (0.38) SLC6A4HTR3EHTR3BHTR1AHTR1D
SCHEMBL31146889 0.74 NPC1 (0.40) SLC6A4SLC6A3KMT2ANPC1RAB9A
SCHEMBL1742802 0.66 CYP3A4 (0.44) SLC6A4KMT2ANPC1RAB9AHTR3E
SCHEMBL31709528 0.66 CYP3A4 (0.44) SLC6A4KMT2ANPC1RAB9AHTR3E
SCHEMBL31146876 0.64 GABRA1 (0.33) KMT2ANPC1RAB9A
SCHEMBL4130159 0.63 MAPT (0.40) KMT2ANPC1RAB9A
SCHEMBL4146714 0.62 CYP3A4 (0.37) KMT2ANPC1RAB9A
SCHEMBL13754295 0.60 SCN1A (0.39) HTR3EHTR3BHTR1AHTR1DHTR1B

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-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP disclosed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO disclosed