SCHEMBL16720106

SCHEMBL16720106

CN(C)Cc1[c]cccc1-c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.39
HTR1A P08908 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CLK2 P49760 4/20 0.34
CLK3 P49761 4/20 0.34
DYRK1A Q13627 4/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ESR2 Q92731 1/20 0.33
WNT1 P04628 1/20 0.33
TGFBR1 P36897 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL16720066 0.82 HSD17B1 (0.38) HTR7ADRA2AADRA2BADRA2C
SCHEMBL6638777 0.81 TAAR1 (0.44) HTR7TAAR1
SCHEMBL6048501 0.75 BACE1 (0.51) HTR7HTR1ATAAR1
SCHEMBL2012496 0.74 ACHE (0.41) HTR7HTR1ATAAR1PIM1ESR2
SCHEMBL7812113 0.74 TAAR1 (0.41) HTR7HTR1ATAAR1PIM1ESR2
SCHEMBL16719738 0.74 CHRNB2 (0.35) HTR7HTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL6048589 0.74 BACE1 (0.50) HTR7HTR1ATAAR1
SCHEMBL6331673 0.73 CYP2A6 (0.48) ADRA2AADRA2BADRA2C
SCHEMBL6339684 0.73 CYP1A2 (0.37)
SCHEMBL2430766 0.72 NT5E (0.41) HTR7HTR1ATAAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed