SCHEMBL28567321

SCHEMBL28567321

N#Cc1ccc(OC2CCCC2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
NPY4R P50391 1/20 0.55
NPY5R Q15761 1/20 0.55
TRPC6 Q9Y210 1/20 0.51
HRH3 Q9Y5N1 11/20 0.48
TRPV4 Q9HBA0 1/20 0.41
ABL1 P00519 2/20 0.40
SCN9A Q15858 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL28575373 0.97 NPY1R (0.59) NPY1RNPY2RNPY4RNPY5RTRPC6
SCHEMBL28561228 0.97 NPY1R (0.59) NPY1RNPY2RNPY4RNPY5RTRPC6
SCHEMBL8434269 0.83 HRH3 (0.58) TRPC6HRH3
SCHEMBL20022643 0.83 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RHRH3
SCHEMBL1496617 0.79 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1874490 0.79 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1874489 0.79 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL11307100 0.79 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1496530 0.79 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1496579 0.79 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RABL1

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-108440251-B Method for photo/nickel concerted catalysis of monoarylation diol 陕西师范大学 2021-01-01 CN disclosed