SCHEMBL21169655

SCHEMBL21169655

Cc1ccc(C(N)c2cccc(C)c2C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
TSHR P16473 3/20 0.35
ADRA1D P25100 2/20 0.35
TP53 P04637 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 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
SCHEMBL8868744 0.81 CYP3A4 (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10580767 0.80 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2232111 0.79 SCN4A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL822332 0.79 GAA (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL17254522 0.79 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL754092 0.78 ALDH1A1 (0.46) TSHRTP53CYP3A4ALDH1A1TRPA1
Water SCHEMBL11461116 0.78 SCN4A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
Hydrochloric Acid SCHEMBL2232058 0.78 SCN4A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
Bromide SCHEMBL6122970 0.78 SCN4A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL22867711 0.73 DPP4 (0.41) ADRA2AADRA2CALDH1A1SCN4ALMNA

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-2019139028-A1 RESIN COMPOSITION FOR INSULATING FILM 日産化学株式会社 2019-07-18 WO disclosed