SCHEMBL29975085

SCHEMBL29975085

CN(C)CCOc1c(N)cccc1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.56
ALDH1A1 P00352 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
LTA4H P09960 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ROCK2 O75116 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 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
SCHEMBL23579204 1.00 HTR7 (0.56) HTR7ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL8068646 0.80 KDM4E (0.49) HTR7ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL30061184 0.80 HTR7 (0.47) HTR7ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL23861171 0.80 HTR7 (0.47) HTR7ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL6712545 0.79 ALDH1A1 (0.66) HTR7ALDH1A1KEAP1NFE2L2HTR1B
SCHEMBL28207980 0.77 ALDH1A1 (0.48) ALDH1A1KDM4E
SCHEMBL25784108 0.75 HTR7 (0.46) HTR7ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL29972937 0.74 CHRNB2 (0.51) HTR7ALDH1A1KDM4ELMNACHRNB2
SCHEMBL23609423 0.74 CHRNB2 (0.51) HTR7ALDH1A1KDM4ELMNACHRNB2
SCHEMBL11448408 0.74 HRH3 (0.56) HTR7ALDH1A1KEAP1NFE2L2KDM4E

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-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed