SCHEMBL13536716

SCHEMBL13536716

FC(F)c1ccnc(N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.59
PLD1 Q13393 2/20 0.51
PRKD1 Q15139 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
HRH3 Q9Y5N1 1/20 0.47
DYRK1A Q13627 1/20 0.47
HRH4 Q9H3N8 2/20 0.45
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
NMT1 P30419 2/20 0.42
MAOB P27338 1/20 0.41
HTR6 P50406 1/20 0.41
AOC3 Q16853 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL31061236 1.00 ADRB1 (0.59) ADRB1PLD1PRKD1PRKD2HRH3
SCHEMBL13428642 0.87 ADRB1 (0.55) ADRB1PLD1HRH3DYRK1AHRH4
Hydrochloric Acid SCHEMBL31061321 0.86 ADRB1 (0.54) ADRB1PLD1HRH3DYRK1AHRH4
SCHEMBL18574083 0.84 ADRB1 (0.52) ADRB1PLD1PRKD1PRKD2HRH3
SCHEMBL8251254 0.84 ADRB1 (0.52) ADRB1PLD1PRKD1PRKD2HRH3
SCHEMBL18500387 0.80 ADRB1 (0.51) ADRB1PLD1HRH3DYRK1AHRH4
SCHEMBL30567171 0.78 ADRB1 (0.64) ADRB1PLD1PRKD1PRKD2HRH3
SCHEMBL22581914 0.78 ADRB1 (0.64) ADRB1PLD1PRKD1PRKD2HRH3
SCHEMBL21473853 0.78 ADRB1 (0.49) ADRB1PLD1HRH3DYRK1AHRH4
SCHEMBL24067234 0.78 ADRB1 (0.46) ADRB1PLD1HRH3DYRK1AHRH4

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-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed