SCHEMBL28027240

SCHEMBL28027240

O=COCC(Cc1cccc2ccccc12)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.46
ADRA2B P18089 8/20 0.46
ADRA2C P18825 8/20 0.46
ADRA1A P35348 6/20 0.46
ADRA1D P25100 5/20 0.46
ADRA1B P35368 5/20 0.46
NLN Q9BYT8 3/20 0.41
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL28877578 0.83 CPA1 (0.38) ADRA2AADRA2BADRA2CNLN
SCHEMBL28027221 0.73 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL27561367 0.71 CYP19A1 (0.46)
SCHEMBL29176090 0.68 HRH4 (0.43)
SCHEMBL29853 0.66 NPC1 (0.54)
SCHEMBL29176086 0.65 HRH4 (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL21401254 0.64 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9572843 0.64 CYP2C9 (0.40)
SCHEMBL25888 0.63 MTNR1A (0.45)
SCHEMBL21401251 0.63 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D

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-104797570-A Pyridine derivatives TEIJIN PHARMA LTD 2015-07-22 CN disclosed