SCHEMBL3948876

SCHEMBL3948876

C(CC1CCNCC1)CC1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
FAAH O00519 1/20 0.35
SLC6A4 P31645 1/20 0.33
GNAO1 P09471 1/20 0.33
DRD4 P21917 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
CTSS P25774 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL3951326 0.90 ITGB3 (0.40) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL3950025 0.85 HRH3 (0.40) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL6262811 0.81 MEN1 (0.39) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL237382 0.80 ITGB3 (0.47) ITGB3ITGA2BHRH3FAAHSLC6A4
Hydrochloric Acid SCHEMBL10840761 0.78 ITGB3 (0.46) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL8097693 0.78 ITGB3 (0.46) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL3955642 0.77 FAAH (0.37) ITGB3ITGA2BFAAHGNAO1DRD4
SCHEMBL17540109 0.76 DRD4 (0.32) DRD4
SCHEMBL331124 0.75 HRH3 (0.47) ITGB3ITGA2BHRH3FAAHSLC6A4
SCHEMBL3948872 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed