SCHEMBL6076160

SCHEMBL6076160

Cc1ccc(-c2nc3c(c(NC4CCCC4)n2)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.45
PDE5A O76074 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IGF1R P08069 2/20 0.42
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 2/20 0.40
PTGS2 P35354 1/20 0.39
ALOX5 P09917 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PRKCZ Q05513 1/20 0.39

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
SCHEMBL6076928 0.99 PDE5A (0.46) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL6075371 0.97 IGF1R (0.42) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL5732654 0.97 ACP1 (0.45) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL5734979 0.96 PDE5A (0.46) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL6075144 0.96 ACP1 (0.42) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL6075770 0.91 ADORA1 (0.45) ACP1ADORA1IGF1RALDH1A1HPGD
SCHEMBL6075878 0.90 ADORA1 (0.47) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL6075874 0.90 ADORA1 (0.47) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL5732459 0.88 ADORA1 (0.47) ACP1PDE5AADORA3ADORA1ADORA2A
SCHEMBL5732457 0.88 ADORA1 (0.47) ACP1PDE5AADORA3ADORA1ADORA2A

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-7045526-B2 Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-16 US claimed