SCHEMBL11524465

SCHEMBL11524465

CCC1CC(C)(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL30886993 1.00 HTR2A (0.39) HTR2AHTR2CADRA2AADRA2BHTR1A
SCHEMBL30839578 1.00 HTR2A (0.39) HTR2AHTR2CADRA2AADRA2BHTR1A
SCHEMBL19210033 0.85 CYSLTR2 (0.41) HTR2AHTR2CADRA2AADRA2BCYSLTR2
SCHEMBL7185696 0.83 HTR2A (0.38) HTR2AHTR2CSIGMAR1KDM4C
SCHEMBL10389169 0.81 HTR2A (0.37) HTR2AHTR2CADRA2AADRA2BHTR1A
SCHEMBL10339564 0.80 HTR2A (0.39) HTR2AHTR2CADRA2ASIGMAR1KDM4C
SCHEMBL1093178 0.80 HTR2A (0.42) HTR2AHTR2CADRA2AADRA2BHTR1A
SCHEMBL10865321 0.79 HTR2A (0.37) HTR2AADRA2AADRA2BCYSLTR2CYSLTR1
SCHEMBL10339554 0.78 HSD11B1 (0.48) CYSLTR2CYSLTR1KDM4C
SCHEMBL31326461 0.78 HSD11B1 (0.48) CYSLTR2CYSLTR1KDM4C

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
CN-110832053-B Composition for organic electronic devices 默克专利有限公司 2024-06-04 CN disclosed
US-4179471-A PROMOTER COMPOSITION OF NAPTHALENE, TERT-AMINE AND A TERT-ALCOHOL OR SALT THEREOF, ALKALI METAL CATALYST PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 US disclosed
US-4179472-A ALKALI METAL CATALYST; BIPHENYL, CONJUGATED DIENE, TERT-AMINE, NAPHTHALENE PROMOTERS PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 US disclosed