SCHEMBL31543335

SCHEMBL31543335

COC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.37
DGAT2 Q96PD7 1/20 0.34
OPRK1 P41145 3/20 0.33
POLQ O75417 1/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
TYRO3 Q06418 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32

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
SCHEMBL30632721 1.00 MAPK1 (0.37) MAPK1DGAT2OPRK1POLQPIK3CA
SCHEMBL26685697 0.91 MAPK1 (0.37) MAPK1DGAT2OPRK1PIK3CAMTOR
SCHEMBL30632637 0.91 MAPK1 (0.37) MAPK1DGAT2OPRK1PIK3CAMTOR
SCHEMBL26685819 0.90 MAPK1 (0.37) MAPK1DGAT2POLQPIK3CAMTOR
SCHEMBL31692006 0.89 MAPK1 (0.35) MAPK1DGAT2OPRK1PIK3CAMTOR
SCHEMBL30632664 0.84 ALDH1A1 (0.34) TYRO3RXRARXRBRXRGCYP4F2
SCHEMBL26685795 0.84 ALDH1A1 (0.34) TYRO3RXRARXRBRXRGCYP4F2
SCHEMBL26685658 0.83 CYP4F2 (0.33) DGAT2RXRARXRBRXRGCYP4F2
SCHEMBL30632780 0.79 OPRK1 (0.39) MAPK1DGAT2OPRK1PIK3CAMTOR
SCHEMBL26686137 0.79 OPRK1 (0.39) MAPK1DGAT2OPRK1PIK3CAMTOR

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-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 CN disclosed