SCHEMBL28290840

SCHEMBL28290840

Brc1ccccc1N1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.39
▸ MGLL Q99685 1/20 0.37
▸ ADRB1 P08588 2/20 0.36
▸ HTR1A P08908 4/20 0.34
▸ HTR3A P46098 3/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ HTR5A P47898 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 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
SCHEMBL10873929 0.77 MGLL (0.37) HTR6MGLLADRB1HTR1AHTR3A
SCHEMBL28030529 0.77 ADRB1 (0.56) MGLLADRB1HTR1AHTR3AHTR7
SCHEMBL28030551 0.77 MEN1 (0.41) MGLLADRB1HTR1AHTR7ALOX5
SCHEMBL28030092 0.77 ADRB1 (0.58) MGLLADRB1HTR1AHTR3AALOX5
Hydrochloric Acid SCHEMBL5766987 0.76 ADRB1 (0.56) MGLLADRB1HTR1AHTR3AHTR2A
SCHEMBL28290905 0.74 ALOX5 (0.59) MGLLADRB1HTR1AHTR2AALOX5
SCHEMBL28030099 0.74 HTR6 (0.59) HTR6HTR1AHTR3AHTR2AHTR7
SCHEMBL23064494 0.73 HTR1A (0.42) HTR6ADRB1HTR1AHTR2AALOX5
SCHEMBL28030100 0.73 NCF1 (0.46) HTR6ADRB1HTR1AHTR2AALOX5
SCHEMBL28290843 0.73 FAAH (0.42) HTR6MGLLADRB1HTR3AALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO disclosed
CN-106061950-B The manufacturing method of pyrazole compound 住友化学株式会社 2019-05-03 — — CN disclosed
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