SCHEMBL21665812

SCHEMBL21665812

CCCOC(C)(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.44
HTR1A P08908 3/20 0.44
ADRA2A P08913 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD1 P21728 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
OPRM1 P35372 3/20 0.44
DRD3 P35462 3/20 0.44
SLC6A3 Q01959 3/20 0.44
ADRA1A P35348 2/20 0.44
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
TBXA2R P21731 2/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 2/20 0.41
SLC22A1 O15245 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL10786977 0.89 CHRM2 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
Embramine SCHEMBL28365 0.83 CHRM2 (0.61) CHRM2HTR1AADRA2ACHRM1DRD1
Embramine SCHEMBL1650532 0.82 CHRM2 (0.59) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL25018337 0.79 CHRM2 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL661183 0.74 MAPK1 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL662478 0.73 KIF11 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL663137 0.73 CHRM2 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7962792 0.73 CHRM2 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL19912057 0.73 CHRM2 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1224411 0.72 MAPK1 (0.56) CHRM2CHRM1OPRM1DRD3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028477-A1 EUTECTIC SOLVENTS COMPRISING PHARMACEUTICAL AGENTS, AND METHODS OF MAKING AND USE THEREOF BULLSEYETX LLC (US) 2020-02-06 WO disclosed