SCHEMBL7299555

SCHEMBL7299555

CCCN(CCc1ccccc1)CCc1cccc(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD3 P35462 4/20 0.55
OPRM1 P35372 3/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 3/20 0.55
HTR1A P08908 1/20 0.54
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
BCHE P06276 2/20 0.46

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
SCHEMBL7298930 0.91 HTR1A (0.59) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL7297679 0.82 DRD2 (0.67) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL552965 0.80 DRD3 (0.71) DRD2DRD3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL28327056 0.79 DRD3 (0.69) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL7299213 0.78 DRD2 (0.55) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL103958 0.77 MAOB (0.50) DRD2HTR1A
SCHEMBL5743538 0.74 SIGMAR1 (0.49)
SCHEMBL12128296 0.73 DRD3 (0.68) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL829785 0.73 CD44 (0.44) HTR1A
SCHEMBL29484088 0.73 CD44 (0.44) HTR1A

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
EP-0304789-B1 BENZIMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
US-4925854-A Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0304789-A2 Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed