SCHEMBL5344338

SCHEMBL5344338

CCc1ccccc1-c1cccc2c1C=CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
DHFR P00374 1/20 0.34
DRD2 P14416 2/20 0.33
PNMT P11086 1/20 0.33
KCNN4 O15554 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
MGLL Q99685 1/20 0.33
PDK2 Q15119 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL6912710 0.84 GABRA1 (0.40) CYP2D6GABRA1GABRB2DRD2HTR1A
SCHEMBL28823798 0.83 PNMT (0.47) DRD2PNMTDRD4HTR2ADRD3
SCHEMBL26606283 0.82 CA1 (0.34) MAOAMAOB
Propane SCHEMBL28734524 0.78 HTR7 (0.37) DRD2HTR1A
SCHEMBL29767630 0.77 HTR7 (0.38) CYP2D6HTR1AHTR2AHTR2C
SCHEMBL5344329 0.77 HTR7 (0.38) CYP2D6HTR1AHTR2AHTR2C
SCHEMBL28424456 0.76 HTR7 (0.37) CYP2D6HTR1AHTR2AHTR2C
SCHEMBL5344889 0.75 CA1 (0.35) GABRA1GABRB2DHFRHTR2CMGLL
SCHEMBL6909824 0.74 DAO (0.31)
SCHEMBL29767639 0.74 PRCP (0.38) HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297747-B2 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-20 US disclosed
US-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed
US-6870016-B1 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-22 US disclosed
US-20050059785-A1 Polymerization process and polymer composition HART JAMES R (US) 2005-03-17 US disclosed
US-20050054520-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENT INC. 2005-03-10 US disclosed
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO disclosed