SCHEMBL4381979

SCHEMBL4381979

CCOc1cc(CN2CCC(C3CC(N(N)c4nc(OC)c5cc(OC)c(OC)cc5n4)CCN3c3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
SSTR5 P35346 2/20 0.39
HRH1 P35367 2/20 0.39
EHMT2 Q96KQ7 6/20 0.37
ADRA1D P25100 10/20 0.37
ADRA1A P35348 10/20 0.37
ADRA1B P35368 10/20 0.37
NSD2 O96028 1/20 0.36

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
SCHEMBL4232013 0.93 SLC2A1 (0.42) SLC2A1SSTR5EHMT2NSD2
SCHEMBL4237980 0.92 SLC2A1 (0.42) SLC2A1SSTR5HRH1EHMT2NSD2
SCHEMBL4381976 0.79 SLC2A1 (0.44) SLC2A1SSTR5HRH1EHMT2NSD2
Hydrochloric Acid SCHEMBL4381557 0.78 SSTR5 (0.39) SSTR5HRH1
SCHEMBL4381970 0.77 SSTR5 (0.43) SLC2A1SSTR5HRH1EHMT2NSD2
Hydrochloric Acid SCHEMBL4232638 0.76 SSTR5 (0.40) SLC2A1SSTR5HRH1
Hydrochloric Acid SCHEMBL4221596 0.75 SSTR5 (0.41) SLC2A1SSTR5HRH1
Hydrochloric Acid SCHEMBL4373343 0.74 SSTR5 (0.40) SLC2A1SSTR5HRH1EHMT2
SCHEMBL3782357 0.74 SSTR5 (0.57) SSTR5HRH1EHMT2NSD2
Hydrochloric Acid SCHEMBL4224967 0.73 SSTR5 (0.43) SLC2A1SSTR5HRH1EHMT2NSD2

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-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed