SCHEMBL6666064

SCHEMBL6666064

CNCC(O)c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.61
ADRB2 P07550 3/20 0.61
ADRB1 P08588 3/20 0.61
ADRA2A P08913 3/20 0.61
ADRB3 P13945 3/20 0.61
ADRA2B P18089 3/20 0.61
ADRA2C P18825 3/20 0.61
TSHR P16473 2/20 0.61
DRD1 P21728 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
DRD3 P35462 2/20 0.61
HTR1A P08908 2/20 0.61
NFKB1 P19838 1/20 0.61
HTR7 P34969 1/20 0.61
RAB9A P51151 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KDM4E B2RXH2 5/20 0.59
BLM P54132 3/20 0.59
LMNA P02545 2/20 0.59

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
SCHEMBL21061259 0.84 GRM4 (0.44) HIF1AADRB2ADRB1ADRA2AADRB3
SCHEMBL9706046 0.84 TSHR (0.58) HIF1AADRB2ADRB1ADRB3TSHR
SCHEMBL6680502 0.84 HIF1A (0.63) HIF1AADRB2ADRB1ADRA2AADRB3
SCHEMBL14535391 0.84 FAAH (0.45) HIF1AADRB2ADRB1ADRA2AADRB3
SCHEMBL10606401 0.83 ADRB2 (0.50) HIF1AADRB2ADRB1TSHRADRA1A
SCHEMBL9646909 0.81 LMNA (0.52) HIF1ALMNADRD2ADRA1DGRM4
SCHEMBL6540746 0.80 S1PR1 (0.45) TSHRCYP3A4GRM4FAAHSLC6A2
SCHEMBL4697927 0.80 S1PR1 (0.45) TSHRCYP3A4GRM4FAAHSLC6A2
SCHEMBL8949484 0.80 GSK3B (0.49) TSHRMAPTALDH1A1GRM4FAAH
SCHEMBL6481575 0.80 S1PR1 (0.45) TSHRCYP3A4GRM4FAAHSLC6A2

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
US-20040116464-A1 Aryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
WO-2004022568-A1 ARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed