SCHEMBL22301641

SCHEMBL22301641

CC1(C)c2ccccc2-c2cc3cc(Cl)c(Cl)cc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.39
PGR P06401 3/20 0.39
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2381133 0.85 PDK2 (0.38) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL16234257 0.85 PDK2 (0.40) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL29892200 0.85 PDK2 (0.40) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL23597976 0.85 PDK2 (0.46) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL5014621 0.80 HTR2A (0.43) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL5062909 0.80 HTR2A (0.43) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL22301638 0.79 PDK2 (0.39) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL22300794 0.79 PDK2 (0.36) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL18311779 0.79 PDK2 (0.49) PDK2PGR
SCHEMBL22300783 0.79 PGR (0.39) PDK2PGRMLNRNR1I2CHRM2

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-2020159135-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2020-08-06 WO disclosed