SCHEMBL6474287

SCHEMBL6474287

COC(=O)CCCCCOc1ccc2c(c1)nc(-c1ccccc1)n2CC(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.46
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
P2RY12 Q9H244 4/20 0.45
PDE2A O00408 2/20 0.44
HDAC1 Q13547 4/20 0.43
TOP1 P11387 1/20 0.43
GRIN2B Q13224 2/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AVPR1B P47901 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41

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
SCHEMBL6475559 0.93 PDE3B (0.47) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6476466 0.92 KDM4E (0.46) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6482841 0.90 GAA (0.51) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6482127 0.86 PTGER4 (0.49) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6482133 0.84 KDM4E (0.51) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6475143 0.84 PPARG (0.46) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6484042 0.84 TSPO (0.47) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6481791 0.83 TSPO (0.46) LTB4RPDE3BPDE3APDE2AHDAC1
SCHEMBL6483459 0.83 GAA (0.51) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6475234 0.82 DRD3 (0.46) LTB4RPDE3BPDE3AP2RY12PDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed