SCHEMBL15906992

SCHEMBL15906992

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
TDP2 O95551 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL14325948 0.97 PDK2 (0.40) PDK2ALDH1A1MAPK1TDP2
SCHEMBL18022285 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL12781540 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL21730813 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL24774 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL29850689 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL29992797 0.96 MAPK1 (0.41) PDK2ALDH1A1MAPK1OPRM1MLNR
SCHEMBL12872056 0.96 MAPK1 (0.39) PDK2ALDH1A1MAPK1TDP2CHRM1
SCHEMBL16773745 0.95 ALDH1A1 (0.38) PDK2ALDH1A1MAPK1TDP2CHRM1
SCHEMBL15907005 0.95 ALDH1A1 (0.38) PDK2ALDH1A1MAPK1TDP2CHRM1

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
US-9741949-B2 Amine-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-22 US disclosed
US-9741949-B2 Amine-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-22 US disclosed
US-20140209878-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209878-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed