SCHEMBL17826010

SCHEMBL17826010

C=C[C]1c2ccccc2C(C)(C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
DRD1 P21728 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL29363404 0.78 HTR2A (0.48) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL283246 0.78 HTR2A (0.48) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL28942003 0.76 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
Lithium SCHEMBL30363455 0.76 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL26331383 0.76 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL24729587 0.76 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
Benzene SCHEMBL28919541 0.76 PGR (0.48) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL3382872 0.75
SCHEMBL28426241 0.75 MLNR (0.38) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL1477667 0.75 PDK2 (0.41) HTR2ADRD1MLNRNR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230350-A1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN Arkema, Inc. (US) 2017-10-18 EP disclosed
WO-2016094163-A1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC. (US) 2016-06-16 WO disclosed