SCHEMBL6167487

SCHEMBL6167487

COC(=O)CCCCCOc1ccc2nc(Nc3ccccc3)n(-c3ccccc3)c2c1.O=C(O)CCCCCOc1ccc2nc(Nc3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.46
PDE3A Q14432 12/20 0.46
P2RY12 Q9H244 8/20 0.46
PDE2A O00408 6/20 0.46
PPARA Q07869 1/20 0.42
LTB4R Q15722 1/20 0.41
CYP1A2 P05177 2/20 0.40
PDE10A Q9Y233 2/20 0.40
JAK2 O60674 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDH1 O75874 3/20 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
SCHEMBL5417970 0.97 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5426529 0.94 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5420262 0.92 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL6369472 0.90 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL6169099 0.88 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL6168387 0.86 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL5422071 0.84 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5481606 0.84 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5410449 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5409690 0.83 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARA

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