SCHEMBL7714451

SCHEMBL7714451

CCCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
CYP1A2 P05177 3/20 0.42
PDE10A Q9Y233 3/20 0.42
FGFR1 P11362 1/20 0.42
ACSS2 Q9NR19 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
TP53 P04637 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
DRD4 P21917 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL7718954 0.91 PDE10A (0.48) PDE2ACYP1A2PDE10AFGFR1HDAC8
SCHEMBL7717836 0.90 PDE10A (0.51) CYP1A2PDE10AFGFR1ACSS2DRD2
SCHEMBL2324702 0.88 TP53 (0.47) PDE2ATP53
SCHEMBL7719701 0.87 FGFR1 (0.52) CYP1A2PDE10AFGFR1ACSS2DRD2
SCHEMBL2323606 0.86 LTB4R (0.48) PDE2AACSS2HDAC8TP53
SCHEMBL2323156 0.85 TP53 (0.40) CYP1A2PDE10AACSS2TP53DRD2
SCHEMBL7719698 0.85 PDE2A (0.42) PDE2ACYP1A2PDE10AFGFR1ACSS2
SCHEMBL2324248 0.85 PDE3B (0.42) CYP1A2PDE10AACSS2TP53KCNH2
SCHEMBL7714523 0.84 PDE10A (0.48) PDE2ACYP1A2PDE10AFGFR1DRD2
SCHEMBL7719686 0.83 TLR8 (0.42) TP53ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed