SCHEMBL31528048

SCHEMBL31528048

CCCc1cc(O)c(-c2c(C)ccc3c2CC(=O)N3CCN(C)C)c(O)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
CYP2D6 P10635 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL31528283 0.90 HTT (0.36) ALDH1A1HTTDRD2
SCHEMBL31528041 0.87 ALDH1A1 (0.34) ALDH1A1HTTDRD2
SCHEMBL31527976 0.87 ALDH1A1 (0.36) ALDH1A1HTT
SCHEMBL31528284 0.86 CACNA1S (0.35) ALDH1A1
SCHEMBL31528133 0.83 HTT (0.37) ALDH1A1HTT
SCHEMBL31528034 0.82 RXRA (0.35) ALDH1A1HTT
SCHEMBL31528026 0.81 HTT (0.40) ALDH1A1HTT
SCHEMBL31528070 0.80 HTT (0.40) ALDH1A1HTT
SCHEMBL31528185 0.78 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL31528013 0.78 ATAD2 (0.36) ALDH1A1

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-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO claimed
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO disclosed