SCHEMBL6484666

SCHEMBL6484666

CCCCCc1nc2ccc(OCCCCCC(=O)OC)cc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.54
AGTR2 P50052 4/20 0.54
PPARG P37231 6/20 0.49
TLR7 Q9NYK1 1/20 0.47
PLA2G2A P14555 1/20 0.46
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46

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
SCHEMBL6474853 0.83 ALDH1A1 (0.51) PLA2G2APDE2APDE3BPDE3AP2RY12
SCHEMBL6474737 0.78 PDE3B (0.51) PDE2APDE3BPDE3AP2RY12
SCHEMBL7359072 0.75 KDM4E (0.52) AGTR1AGTR2PPARG
SCHEMBL6483459 0.75 GAA (0.51) PLA2G2APDE2APDE3BPDE3AP2RY12
SCHEMBL5407925 0.74 PDE3B (0.51) PPARGPDE2APDE3BPDE3AP2RY12
SCHEMBL5412749 0.74 PDE3B (0.53) PPARGPDE2APDE3BPDE3AP2RY12
SCHEMBL5424244 0.74 PDE3B (0.45) PPARGPDE2APDE3BPDE3AP2RY12
SCHEMBL6476128 0.74 HPGD (0.55) PDE2APDE3BPDE3AP2RY12
SCHEMBL6474225 0.74 PDE6D (0.49) PLA2G2APDE3BPDE3AP2RY12
SCHEMBL5481606 0.74 PDE3B (0.46) PPARGPDE2APDE3BPDE3AP2RY12

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-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed