SCHEMBL26010083

SCHEMBL26010083

N#Cc1c(SCc2cccnc2)nc(N2CCCC2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.67
ADORA2A P29274 4/20 0.59
SLC6A3 Q01959 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA2A P08913 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 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
SCHEMBL26010086 0.98 ADORA1 (0.65) ADORA1ADORA2ASLC6A3ADORA3ADORA2B
SCHEMBL26010009 0.92 ADORA1 (0.61) ADORA1ADORA2ASLC6A3ADORA3ADORA2B
SCHEMBL26013106 0.90 ADORA1 (0.59) ADORA1ADORA2ASLC6A3ADORA3ADORA2B
SCHEMBL26015783 0.89 ADORA1 (0.55) ADORA1ADORA2ASLC6A3ADORA3ADORA2B
SCHEMBL26012678 0.88 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL26009694 0.88 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL26012904 0.88 ADORA1 (0.65) ADORA1ADORA2ASLC6A3ADORA2BALDH1A1
SCHEMBL26015695 0.88 ADORA1 (0.55) ADORA1ADORA2ASLC6A3ADORA3ADORA2B
SCHEMBL25362387 0.87 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL30511872 0.87 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BALDH1A1

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
WO-2023158725-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS LUCY THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed