SCHEMBL7796546

SCHEMBL7796546

BOCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.50
HTR2A P28223 7/20 0.46
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7799318 0.86 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2SIGMAR1
SCHEMBL2421009 0.80 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL29280865 0.80 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL4220332 0.78 HRH1 (0.52) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL792175 0.76 HRH1 (0.50) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL242578 0.76 HRH1 (0.50) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3950659 0.76 HRH1 (0.50) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL8597350 0.76 HRH1 (0.56) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3290730 0.76 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL7800345 0.75 CA12 (0.47) HRH1HTR2ATAAR1CYP2D6LMNA

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-0808849-B1 Process for the production of ethylenic polymers SHOWA DENKO KK (JP) 2001-12-19 EP disclosed
US-6011127-A CATALYST COMPRISING A CHROMIUM COMPOUND, AN ALUMOXANE AND AN ORGANOMETALLIC ALKOXIDE AND/OR ORGANOMETALLIC SILOXIDE AND A CARRIER SUPPORTING THEREON THESE COMPOUNDS. SHOWA DENKO K.K. (JP) 2000-01-04 US disclosed
EP-0808849-A1 Process for the production of ethylenic polymers SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-11-26 EP disclosed