SCHEMBL6169519

SCHEMBL6169519

CCC(C)Nc1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1.Cc1ccc(-n2c(Oc3ccccc3)nc3ccc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.40
PDE3A Q14432 10/20 0.40
P2RY12 Q9H244 6/20 0.40
PDE2A O00408 6/20 0.40
DPP4 P27487 5/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 1/20 0.35
PDE10A Q9Y233 1/20 0.35
LTB4R Q15722 1/20 0.34

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
SCHEMBL5410449 0.89 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6375934 0.88 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADPP4
SCHEMBL5417074 0.85 PPARG (0.49) PDE3BPDE3AP2RY12PDE2ADPP4
SCHEMBL6168387 0.81 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2ACYP1A2
SCHEMBL5420262 0.80 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6169099 0.79 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6167487 0.79 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5418895 0.79 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5412749 0.79 PDE3B (0.53) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6369472 0.78 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADPP4

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-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP claimed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP claimed