SCHEMBL6600236

SCHEMBL6600236

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
MC4R P32245 1/20 0.42
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
P2RY12 Q9H244 3/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 2/20 0.39
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
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
DYRK1A Q13627 1/20 0.38
F11 P03951 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
SCHEMBL6474929 0.94 PDE3B (0.47) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6605326 0.87 PDE3B (0.43) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6602693 0.85 MC4R (0.41) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6475124 0.84 PDE3B (0.47) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6484684 0.83 DRD3 (0.56) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6482865 0.82 PDE3B (0.48) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6482732 0.82 PDE3B (0.47) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6484562 0.81 PDE3B (0.47) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6483132 0.80 PDE3B (0.48) DRD2DRD3MC4RPDE3BPDE3A
SCHEMBL6482045 0.80 PDE3B (0.46) DRD2DRD3MC4RPDE3BPDE3A

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