SCHEMBL31068697

SCHEMBL31068697

CN(C)CC(O)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.46
TAAR1 Q96RJ0 1/20 0.43
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DNM1 Q05193 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL25263568 1.00 AOC3 (0.46) AOC3TAAR1HTR2AHRH1SLC6A2
SCHEMBL8722245 0.83 TAAR1 (0.49) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL25833084 0.80 GBA1 (0.45) AOC3TAAR1HTR2AHRH1TDP1
SCHEMBL8439197 0.80 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6493022 0.80 AOC3 (0.51) AOC3TAAR1HTR2AHRH1SLC6A2
SCHEMBL24951572 0.80 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6491746 0.80 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL28168731 0.80 MEN1 (0.54) AOC3TAAR1DNM1SMN1; SMN2SLC18A3
SCHEMBL31138108 0.79 LMNA (0.57) SLC6A2SLC6A4SLC6A3MAPTSLC18A3
SCHEMBL6683467 0.79 LMNA (0.57) SLC6A2SLC6A4SLC6A3MAPTSLC18A3

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-118541370-A Azaindole derivatives and their use as ERK kinase inhibitors AGV探索公司 2024-08-23 CN disclosed