SCHEMBL21779953

SCHEMBL21779953

CCC(C)N1CCC(OC)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL21779876 1.00 HRH3 (0.43) HRH3DRD2DRD3
SCHEMBL13101427 0.88 HRH3 (0.49) HRH3
SCHEMBL12801526 0.84 HRH3 (0.34) HRH3
SCHEMBL16279294 0.83 HRH3 (0.44) HRH3
SCHEMBL15018879 0.83 HRH3 (0.44) HRH3
SCHEMBL19710796 0.81 HRH3 (0.33) HRH3
SCHEMBL9963119 0.79 HRH3 (0.38) HRH3
SCHEMBL8121510 0.79 HRH3 (0.38) HRH3
SCHEMBL9963118 0.79 HRH3 (0.38) HRH3
SCHEMBL24167623 0.79 HRH3 (0.31) HRH3

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-2021257828-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2021-12-23 WO disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed