SCHEMBL13512866

SCHEMBL13512866

Cc1ccc(Cc2cnc(-c3nc4c(N5CCOC5=O)cc(N5CCC6C[C@@H]6CC5)cn4c(=O)c3O)[nH]2)cc1

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14749234 0.92 PIK3CD (0.33) HTR1ADRD2HTR1DHTR1BHTR2A
SCHEMBL12881003 0.84 ALDH1A1 (0.34)
Hydrochloric Acid SCHEMBL1221826 0.84 ALDH1A1 (0.34)
SCHEMBL13512867 0.81 SLC2A1 (0.34)
SCHEMBL14749235 0.78 BRD4 (0.32)
SCHEMBL1222176 0.76 CYP1A2 (0.35)
SCHEMBL12894059 0.74 TLR7 (0.32)
SCHEMBL12880993 0.74 PIK3CA (0.36)
SCHEMBL14749236 0.74 CNR1 (0.34)
Hydrochloric Acid SCHEMBL1222282 0.74 PIK3CA (0.35)

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-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 WO disclosed