SCHEMBL7718964

SCHEMBL7718964

COC(=O)CCCCCOc1ccc2nc(-c3ccncc3)n(-c3ccccc3)c2c1.Cc1ccc(-c2nc3ccc(OCCCCCC(=O)OC(C)C)cc3n2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.42
PDE3A Q14432 6/20 0.42
P2RY12 Q9H244 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PDE2A O00408 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 2/20 0.40
DPP4 P27487 5/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TOP1 P11387 1/20 0.38
HDAC1 Q13547 1/20 0.38
LTB4R Q15722 1/20 0.38

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
SCHEMBL2324240 0.93 SIRT2 (0.46) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2328061 0.91 PDE3B (0.48) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2326969 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2323254 0.90 PDE3B (0.45) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2214987 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2323506 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2323759 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2324687 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APDE10A
SCHEMBL2322948 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2330018 0.87 PDE3B (0.48) PDE3BPDE3AP2RY12SIRT2SIRT1

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