SCHEMBL21130124

SCHEMBL21130124

CC1(C)c2ccccc2Oc2c(-c3ccccc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.44
HTR2B P41595 3/20 0.35
TMEM97 Q5BJF2 3/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AHR P35869 1/20 0.34
NTSR1 P30989 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 3/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ATM Q13315 1/20 0.32
SLC6A2 P23975 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
SCHEMBL22472518 0.94 DRD1 (0.40) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL25592573 0.93 DRD1 (0.42) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL21603047 0.90 DRD1 (0.53) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL16773596 0.89 DRD1 (0.38) DRD1ALDH1A1AHR
SCHEMBL22058622 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL15982189 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL16787208 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL15982114 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL15982205 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7
SCHEMBL15982142 0.89 DRD1 (0.37) DRD1HTR2BTMEM97HTR1AHTR7

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
EP-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed