SCHEMBL6474089

SCHEMBL6474089

COC(=O)CCCCCOc1ccc2c(c1)nc(-c1ccccc1)n2CC=Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.43
DRD2 P14416 8/20 0.43
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
P2RY12 Q9H244 4/20 0.43
PDE2A O00408 2/20 0.42
LTB4R Q15722 1/20 0.41
HDAC1 Q13547 4/20 0.41
TOP1 P11387 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
POLB P06746 1/20 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
SCHEMBL6474086 1.00 DRD3 (0.43) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475234 0.94 DRD3 (0.46) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475231 0.94 DRD3 (0.46) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6481888 0.88 PDE3B (0.48) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6481891 0.88 PDE3B (0.48) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475198 0.85 PPARA (0.50) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475201 0.85 PPARA (0.50) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6482133 0.85 KDM4E (0.51) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL7109085 0.84 LTB4R (0.40) DRD3DRD2LTB4R
SCHEMBL6482841 0.81 GAA (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R

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