SCHEMBL6169099

SCHEMBL6169099

CCCNc1nc2ccc(OCCCCCC(=O)O)cc2n1-c1ccccc1.CCCNc1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.45
PDE3A Q14432 11/20 0.45
P2RY12 Q9H244 7/20 0.45
PDE2A O00408 6/20 0.45
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 5/20 0.40
PDE10A Q9Y233 5/20 0.40
LTB4R Q15722 1/20 0.40
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL5422071 0.97 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2ATSHR
SCHEMBL5408066 0.95 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2ATSHR
SCHEMBL5481606 0.93 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ATSHR
SCHEMBL6167487 0.88 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL6168387 0.84 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2ACYP1A2
SCHEMBL5417970 0.84 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5410449 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5418895 0.82 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5407925 0.81 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5409690 0.81 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG

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