SCHEMBL5753900

SCHEMBL5753900

CCCN(C)C(C=O)Cc1c[c]ccc1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4820796 0.81
SCHEMBL6634828 0.69 CARM1 (0.42)
SCHEMBL3776672 0.69 EPHX1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL6634552 0.67 ADRA2B (0.44) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL4812855 0.67 ACE (0.37)
SCHEMBL128086 0.66 TAAR1 (0.35) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL25309449 0.65 TRPA1 (0.35) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL1071752 0.65 TRPA1 (0.35) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL6667357 0.65 HRH3 (0.43) SLC6A2SLC6A4ADRA1ASLC6A3KCNH2
SCHEMBL9330630 0.65 TAAR1 (0.34) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP claimed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed