SCHEMBL9851089

SCHEMBL9851089

CCN(CC)CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.63
ADORA2B P29275 2/20 0.63
SLC29A1 Q99808 3/20 0.62
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA1 P30542 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60

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
SCHEMBL9851094 1.00 ADORA2A (0.63) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL6762520 0.92 SLC29A1 (0.64) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL6762627 0.91 SLC29A1 (0.65) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL9140650 0.91 SLC29A1 (0.67) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL6758912 0.91 SLC29A1 (0.67) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL6760510 0.88 SLC29A1 (0.64) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL157531 0.86 ADORA2A (0.69) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL20579764 0.86 ADORA2A (0.69) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL3150637 0.86 ADORA2A (0.69) ADORA2AADORA2BSLC29A1DPP4MEN1
SCHEMBL1996593 0.86 ADORA2A (0.69) ADORA2AADORA2BSLC29A1DPP4MEN1

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
EP-0423777-A2 Method of treating gastrointestinal motility disorders G.D. Searle & Co. (US) 1991-04-24 EP disclosed