SCHEMBL28456930

SCHEMBL28456930

Cn1cc2c(c1)C(C=O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F12 P00748 2/20 0.34
F2 P00734 1/20 0.34
HTR6 P50406 1/20 0.30

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
SCHEMBL22492326 0.71 F12 (0.45) F12F2
SCHEMBL28304605 0.71 DRD4 (0.37)
SCHEMBL22492369 0.71 F12 (0.43) F12F2
SCHEMBL28280853 0.70 ALDH1A1 (0.32)
SCHEMBL29663637 0.69 IDO1 (0.49)
SCHEMBL8699708 0.69 IDO1 (0.49)
SCHEMBL9159890 0.69 IDO1 (0.49)
SCHEMBL782544 0.69 IDO1 (0.49)
SCHEMBL13229169 0.68 KMT2A (0.38)
SCHEMBL28787918 0.68 SRD5A1 (0.41) HTR6

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-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 CN disclosed