SCHEMBL5653185

SCHEMBL5653185

CCCn1c(=O)c2c(nc(Cc3ccnnc3)n2CCN(CC)CCO)n(CCc2cccc(NC(C)=O)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
TSHR P16473 4/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ADORA2B P29275 6/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MAPT P10636 2/20 0.34
ADORA2A P29274 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA3 P0DMS8 3/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1334414 0.90 ADORA1 (0.44) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL5653181 0.89 ADORA1 (0.41) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1334330 0.85 ADORA1 (0.44) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1333466 0.84 ADORA1 (0.47) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL4167581 0.83 ADORA1 (0.44) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1333023 0.82 ADORA1 (0.50) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL4182204 0.81 ADORA1 (0.43) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1334308 0.80 ADORA1 (0.57) ADORA1TSHRALDH1A1SMN1; SMN2ADORA2B
SCHEMBL1334411 0.80 ADORA1 (0.42) ADORA1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1333496 0.79 ADORA1 (0.56) ADORA1TSHRALDH1A1SMN1; SMN2ADORA2B

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
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US claimed