SCHEMBL29624531

SCHEMBL29624531

FC(F)(F)c1cccc(C/C=C/Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TAAR1 Q96RJ0 1/20 0.51
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
ACP3 P15309 1/20 0.47
MIF P14174 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
CETP P11597 1/20 0.42

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
SCHEMBL28743537 1.00 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL28743534 1.00 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL27986136 0.85 TAAR1 (0.55) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL1048398 0.82 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL1048397 0.82 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL9802295 0.82 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL27628915 0.82 IDO1 (0.54) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL10263844 0.82 IDO1 (0.59) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL5703037 0.79 IDO1 (0.59) IDO1TAAR1HTR2AHTR2BHTR2C
SCHEMBL39835 0.79 TAAR1 (0.56) IDO1TAAR1HTR2AHTR2BHTR2C

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
CN-108101826-B Indole-substituted alkylamine compound and application thereof 华东理工大学 2022-05-10 CN disclosed