SCHEMBL30777989

SCHEMBL30777989

CN(C)C(=O)c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
P2RY12 Q9H244 17/20 0.42
AOC3 Q16853 1/20 0.40
SLC2A1 P11166 1/20 0.38

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
SCHEMBL23064378 1.00 CNR2 (0.43) CNR2P2RY12AOC3SLC2A1
SCHEMBL23064387 0.87 AOC3 (0.44) CNR2P2RY12AOC3SLC2A1
SCHEMBL30777998 0.87 AOC3 (0.44) CNR2P2RY12AOC3SLC2A1
SCHEMBL26815957 0.83 SLC2A1 (0.42) P2RY12SLC2A1
SCHEMBL23283030 0.82 TSHR (0.36) CNR2AOC3
SCHEMBL23064357 0.82 P2RY12 (0.43) P2RY12SLC2A1
SCHEMBL30777990 0.82 P2RY12 (0.43) P2RY12SLC2A1
SCHEMBL23074479 0.82 CNR1 (0.46) CNR2P2RY12
SCHEMBL23074483 0.82 SLC2A1 (0.41) P2RY12SLC2A1
SCHEMBL23064283 0.78 P2RY12 (0.47) P2RY12AOC3SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118678955-A Pharmaceutical composition for preventing and/or treating heart failure 国立大学法人大阪大学 2024-09-20 CN disclosed
CN-112204017-B Benzisoxazole compounds 国立大学法人大阪大学 2024-08-20 CN disclosed
CN-117580577-A Pharmaceutical composition for preventing and/or treating kidney injury and autophagy activator 国立大学法人大阪大学 2024-02-20 CN disclosed