SCHEMBL26686137

SCHEMBL26686137

CC(=O)Nc1cc2c(cn1)c(N1CCCC1)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1F P30939 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TYRO3 Q06418 1/20 0.37
PDE7A Q13946 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
MAPK1 P28482 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PIK3CA P42336 3/20 0.35
PRKDC P78527 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ABL1 P00519 2/20 0.34
MTOR P42345 2/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL30632780 1.00 OPRK1 (0.39) OPRK1HTR1AHTR1DHTR1FHRH3
SCHEMBL26685834 0.94 TYRO3 (0.41) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL30632696 0.94 TYRO3 (0.41) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL26685782 0.93 HTR1A (0.43) OPRK1HTR1AHTR1DHTR1FHRH3
SCHEMBL30632621 0.93 HTR1A (0.43) OPRK1HTR1AHTR1DHTR1FHRH3
SCHEMBL26685570 0.91 OPRK1 (0.41) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL30632693 0.91 OPRK1 (0.41) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL30632637 0.89 MAPK1 (0.37) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL26685697 0.89 MAPK1 (0.37) OPRK1HTR1AHTR1DHTR1FTYRO3
SCHEMBL30632705 0.87 MAPK1 (0.39) OPRK1HTR1AHTR1DHTR1FHRH3

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-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed