SCHEMBL28290843

SCHEMBL28290843

CC(C)c1ccccc1N1CCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADRB1 P08588 3/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 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
SCHEMBL28030529 0.77 ADRB1 (0.56) MGLLALDH1A1MAPTADRB1ALOX5
SCHEMBL30159660 0.75 ADRB1 (0.65) ALDH1A1MAPTADRB1HTR3EHTR3B
SCHEMBL5336801 0.75 ADRB1 (0.65) ALDH1A1MAPTADRB1HTR3EHTR3B
Bromide SCHEMBL8828729 0.74 ADRB1 (0.62) ALDH1A1MAPTADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL27645831 0.74 ADRB1 (0.62) ALDH1A1MAPTADRB1HTR3EHTR3B
SCHEMBL28290905 0.74 ALOX5 (0.59) MGLLMAPTADRB1ALOX5DRD2
SCHEMBL28030551 0.73 MEN1 (0.41) MGLLALDH1A1MAPTADRB1ALOX15
SCHEMBL10873929 0.73 MGLL (0.37) MGLLADRB1ALOX5HTR3EHTR3B
SCHEMBL28290840 0.73 HTR6 (0.39) MGLLADRB1ALOX5HTR3EHTR3B
SCHEMBL28030092 0.73 ADRB1 (0.58) MGLLALDH1A1MAPTL3MBTL1ADRB1

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-106061950-B The manufacturing method of pyrazole compound 住友化学株式会社 2019-05-03 — — CN disclosed
Send feedback