SCHEMBL8906349

SCHEMBL8906349

CC1=C(C2c3ccccc3-c3ccccc32)C=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
GPR3 P46089 2/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ACHE P22303 2/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
BCHE P06276 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
Hydrochloric Acid SCHEMBL8905301 0.96 HTR2A (0.33) HTR2AGPR3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3170692 0.76 HTR2A (0.34) HTR2AGPR3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7938541 0.76 HTR2A (0.34) HTR2AGPR3CYP1A2CYP2D6
Methane SCHEMBL8163328 0.75 HTR2A (0.33) HTR2A
Methane SCHEMBL8935403 0.75 HTR2A (0.33) HTR2A
Methane SCHEMBL8935426 0.75 GPR3 (0.31) HTR2AGPR3SLC6A2SLC6A4SLC6A3
Chloromethane SCHEMBL3681968 0.74 GPR3 (0.30) HTR2AGPR3
Hydrochloric Acid SCHEMBL3679754 0.73 ADRA2C (0.31)
Hydrochloric Acid SCHEMBL2763539 0.73 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3POLB
Hydrochloric Acid SCHEMBL3687523 0.73 HTR2A (0.32) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622906-A CONTACTING TRANSITION METAL CONTAINING CATALYST WITH ORGANOALUMINOXANE DISPERSED IN SOLVENT, COMBINING SLURRY FORMED WITH BOROXIN COMPOUND, CONTACTING WITH METALLOCENE TO FORM OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-04-22 US disclosed
EP-0705848-A2 Compositions useful for olefin polymerization and processes therefor and therewith PHILLIPS PETROLEUM COMPANY (US) 1996-04-10 EP disclosed
US-5480948-A WITH CATALYST OF /A/ORGANOALUMINOXY PRODUCT FORMED BY REACTING ORGANOALUMINOXANE AND ORGANIC PEROXIDE, ALKYLENE OXIDE OR ORGANIC CARBONATE AND /B/GROUP IVB OR VB METAL HYDROCARBYL, CYCLOPENTADIENYL, ALKOXIDE, ARYLOXIDE, HALIDE OR HYDRIDE PHILLIPS PETROLEUM COMPANY (US) 1996-01-02 US disclosed
EP-0677526-A1 Organoaluminoxy product, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-10-18 EP disclosed
US-5436212-A Coordination polymerization catalysts for olefins PHILLIPS PETROLEUM COMPANY (US) 1995-07-25 US disclosed