SCHEMBL3887203

SCHEMBL3887203

CN(C)CCCOCc1c2c(cn1COCC[Si](C)(C)C)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HRH1 P35367 2/20 0.31
KCNK2 O95069 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL3883586 0.85 ADRA1A (0.32) MAPK1HRH1ADRA1A
SCHEMBL5227480 0.80 MAPK1 (0.33) MAPK1DRD2DRD4HRH4HTR2A
SCHEMBL3884368 0.79 MAPK1 (0.33) MAPK1DRD2DRD4HRH4HTR2A
SCHEMBL4695749 0.78 MAPK1 (0.32) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL4692968 0.78 MAPK1 (0.32) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL3883916 0.77 CACNA1H (0.32) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL5226637 0.76 MAPK1 (0.34) MAPK1DRD2DRD4HRH4HTR2A
SCHEMBL4850979 0.75 MAPK1 (0.38) MAPK1DRD2DRD4HRH4HTR2A
SCHEMBL3882354 0.73 MEN1 (0.36) MAPK1MEN1PIM1KMT2ATDP1
SCHEMBL3882099 0.73 MAPK1 (0.36) MAPK1DRD2DRD4HRH4HTR2A

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
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed