SCHEMBL21688445

SCHEMBL21688445

CC(CC(C)(N)Br)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.54
RIPK1 Q13546 1/20 0.52
AOC3 Q16853 2/20 0.48
TRPA1 O75762 4/20 0.42
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
CACNA1D Q01668 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL21322418 0.85 TAAR1 (0.56) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL5664123 0.80 RIPK1 (0.63) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL27847314 0.78 TAAR1 (0.52) TAAR1RIPK1AOC3TRPA1
SCHEMBL28133086 0.77 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL2418232 0.77 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL20427677 0.77 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL8496598 0.76 TAAR1 (0.50) TAAR1RIPK1AOC3TRPA1KDM4E
SCHEMBL1019329 0.75 RIPK1 (0.52) TAAR1RIPK1AOC3TRPA1CACNA1F
SCHEMBL38652448 0.75 TAAR1 (0.53) TAAR1RIPK1AOC3TRPA1SLC6A3
SCHEMBL11362801 0.74 TAAR1 (0.52) TAAR1RIPK1AOC3TRPA1CACNA1F

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-2020022784-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING PROTEINOPATHIES COMPRISING SAME 주식회사 프로텍바이오 2020-01-30 WO disclosed