SCHEMBL28958233

SCHEMBL28958233

NCc1cccc(Br)c1Br

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
PNMT P11086 3/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
IDO1 P14902 2/20 0.41
DPP4 P27487 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL9016954 0.81 GABRA1 (0.48) TAAR1GABRA1GABRB2IDO1
SCHEMBL109674 0.79
SCHEMBL30412907 0.78 PNMT (0.60) TAAR1PNMTGABRA1GABRB2IDO1
SCHEMBL3668716 0.78 TAAR1 (0.46) TAAR1PNMTGABRA1GABRB2IDO1
SCHEMBL4698261 0.78 PNMT (0.60) TAAR1PNMTGABRA1GABRB2IDO1
SCHEMBL25300884 0.78 TAAR1 (0.46) TAAR1PNMTGABRA1GABRB2IDO1
SCHEMBL1363756 0.78 TAAR1 (0.46) TAAR1PNMTGABRA1GABRB2IDO1
Hydrochloric Acid SCHEMBL667683 0.77 TAAR1 (0.62) TAAR1PNMTIDO1DPP4LOXL2
Bromide SCHEMBL31513709 0.77 TAAR1 (0.62) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL29562705 0.77 GABRA1 (0.44) TAAR1GABRA1GABRB2IDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN disclosed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed