SCHEMBL28477012

SCHEMBL28477012

CC(O)(Br)Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
NR3C1 P04150 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
RIPK1 Q13546 1/20 0.45
IDO1 P14902 3/20 0.44
CYP3A4 P08684 2/20 0.44
AGXT P21549 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
AOC3 Q16853 1/20 0.43
MAOB P27338 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
SCHEMBL8324906 0.86 MAOB (0.52) PNMTNR3C1TAAR1HTR3EHTR3B
SCHEMBL73643 0.82 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A
Ammonia Solution, Strong SCHEMBL27962080 0.80 PNMT (0.52) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL5925967 0.79 PNMT (0.47) PNMTNR3C1TAAR1HTR3EHTR3B
SCHEMBL11667803 0.79 RIPK1 (0.48) PNMTNR3C1TAAR1HTR3EHTR3B
SCHEMBL5222434 0.78 SLC6A2 (0.59) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL7109269 0.78 PNMT (0.50) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL3476733 0.78 RIPK1 (0.54) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL11659390 0.78 HTR3E (0.44) PNMTNR3C1TAAR1HTR3EHTR3B
SCHEMBL7109272 0.77 TAAR1 (0.50) PNMTTAAR1HTR3EHTR3BHTR3A

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
CN-111936506-B Compound and organic light-emitting element comprising same 株式会社LG化学 2023-11-07 CN disclosed
CN-111936506-A Compound and organic light-emitting element comprising same 株式会社LG化学 2020-11-13 CN disclosed