SCHEMBL30291271

SCHEMBL30291271

OC1CCCC2(COC(F)c3ccccc32)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 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
SCHEMBL30291262 0.86 HTR2A (0.31) HTR2A
SCHEMBL23645053 0.86 HTR2A (0.31) HTR2A
SCHEMBL23645686 0.83
SCHEMBL23644323 0.74 HDAC4 (0.32)
SCHEMBL30291255 0.73 APAF1 (0.31)
SCHEMBL23645219 0.72 TRPA1 (0.34) HTR2A
SCHEMBL23645472 0.72 SIGMAR1 (0.36) HTR2A
SCHEMBL23645506 0.69 HDAC4 (0.32)
SCHEMBL24483057 0.65 SLC18A3 (0.56)
SCHEMBL23644320 0.64 OPRM1 (0.39)

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-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed