SCHEMBL28845229

SCHEMBL28845229

CCc1cccc(N2CCCCC2)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
DRD3 P35462 3/20 0.49
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 1/20 0.41
ALOX5 P09917 1/20 0.41
NCF1 P14598 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16814893 0.88 NCF1 (0.48) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL6514775 0.85 KEAP1 (0.53) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL25106906 0.84 DRD2 (0.69) HTR1ADRD2DRD4HTR2AHTR2C
Methylamine SCHEMBL6478870 0.83 NCF1 (0.56) HTR1ADRD2DRD4HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL7896018 0.83 KEAP1 (0.52) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL29156848 0.83 KEAP1 (0.52) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL8776692 0.83 NCF1 (0.54) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL11552605 0.81 HTR1A (0.68) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL9263328 0.80 HTR1A (0.50) HTR1ADRD2DRD4HTR2AHTR2C
Nitrogen SCHEMBL4600854 0.79 NCF1 (0.51) HTR1ADRD2DRD4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905453-A It is a kind of for the composite catalyst of high molecular weight polyisobutylene, preparation method and polymerization technique in synthesis 山东成泰化工有限公司 2017-06-30 CN claimed
CN-110183560-A A method of middle-molecular-weihydroxyethyl polyisobutene is prepared using ferrotitanium composite catalyst 华东理工大学 2019-08-30 CN disclosed
CN-107216414-A It is a kind of for composite catalyst of synthesizing polyisobutylene and preparation method and application 万华化学集团股份有限公司 2017-09-29 CN disclosed
CN-106905453-A It is a kind of for the composite catalyst of high molecular weight polyisobutylene, preparation method and polymerization technique in synthesis 山东成泰化工有限公司 2017-06-30 CN disclosed