SCHEMBL7719264

SCHEMBL7719264

CC(C)OC(=O)CCCCCOc1ccc2nc(-c3cccc(Cl)c3)n(-c3ccccc3)c2c1.COC(=O)CCCCCOc1ccc2nc(-c3cccc(Cl)c3)n(-c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 10/20 0.43
PDE3B Q13370 6/20 0.42
PDE3A Q14432 6/20 0.42
P2RY12 Q9H244 5/20 0.42
PDE2A O00408 2/20 0.41
LTB4R Q15722 1/20 0.40
AR P10275 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL2331979 0.97 AVPR1B (0.44) AVPR1BPDE3BPDE3AP2RY12AR
SCHEMBL2327135 0.94 PDE3B (0.46) AVPR1BPDE3BPDE3AP2RY12PDE2A
SCHEMBL2324281 0.93 PDE3B (0.43) AVPR1BPDE3BPDE3AP2RY12AR
SCHEMBL2323141 0.90 PDE3B (0.46) AVPR1BPDE3BPDE3AP2RY12PDE2A
SCHEMBL2329630 0.89 AR (0.46) PDE3BPDE3AP2RY12ARHDAC1
SCHEMBL2323506 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL2323759 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL2329243 0.89 PDE3B (0.44) PDE3BPDE3AP2RY12ARHDAC1
SCHEMBL2326861 0.89 PDE3B (0.44) PDE3BPDE3AP2RY12LTB4RAR
SCHEMBL2322948 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAR

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