SCHEMBL28085523

SCHEMBL28085523

NCCC(N)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNK2 O95069 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN4A P35499 2/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
HTR2A P28223 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC7A5 Q01650 4/20 0.37

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
SCHEMBL8081691 0.81 SCN4A (0.38) TAAR1SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL3227309 0.81 SLC6A4 (0.41) SLC6A4SCN4ALTA4HEPHX1SLC7A5
SCHEMBL5674229 0.81 ALDH1A1 (0.43) SLC6A4SCN4ALTA4HEPHX1ALDH1A1
SCHEMBL5679399 0.81 HDAC3 (0.39) TAAR1SLC6A4SCN4ALTA4HEPHX1
SCHEMBL3071330 0.79 METAP2 (0.47) TAAR1HTR2AEPHX1
SCHEMBL3229708 0.78 LTA4H (0.44) HRH1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7582723 0.77 MTNR1A (0.47) HRH1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL9793559 0.77 HRH1 (0.45) HRH1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL7538331 0.76 CYP1A2 (0.44) LTA4HALDH1A1
SCHEMBL3229715 0.76 CSNK1E (0.45) HRH1SLC6A4SLC6A2SLC6A3KCNH2

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-103561712-B The method processing keratin fiber under heat inputs 莱雅公司 2016-08-17 CN disclosed