SCHEMBL6605326

SCHEMBL6605326

CCOC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCN(C)C(=O)COC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
P2RY12 Q9H244 4/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
MC4R P32245 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PIN1 Q13526 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
DYRK1A Q13627 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
SCHEMBL6482732 0.94 PDE3B (0.47) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6602693 0.90 MC4R (0.41) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6475124 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6600236 0.87 DRD2 (0.42) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6482865 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6482617 0.84 PDE3B (0.44) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6484562 0.84 PDE3B (0.47) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6482045 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6481661 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12DRD2DRD3
SCHEMBL6484684 0.83 DRD3 (0.56) PDE3BPDE3AP2RY12DRD2DRD3

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-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 disclosed
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 disclosed