SCHEMBL7512679

SCHEMBL7512679

Fc1cccc2c(NCCc3ccccn3)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
HTR1A P08908 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 2/20 0.45
APP P05067 2/20 0.45
FERMT2 Q96AC1 1/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7504497 0.84 LMNA (0.56) ADORA2AADORA1HTR1AADRA1DADRA1A
SCHEMBL7501246 0.84 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BRAB9A
SCHEMBL7504942 0.81 HPGD (0.50) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL7509990 0.81 HTR1A (0.47) ADORA2AADORA1HTR1AADRA1DADRA1A
SCHEMBL7510138 0.81 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BRAB9A
SCHEMBL7503084 0.80 KDM4E (0.48) ADORA2AADORA1HTR1AADRA1DADRA1A
SCHEMBL7509308 0.80 SMN1; SMN2 (0.51) CYP1A2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7507131 0.80 SMN1; SMN2 (0.53) CYP1A2HTR1AADRA1DADRA1AADRA1B
SCHEMBL23202861 0.78 HTR1A (0.47) ADORA2AADORA1HTR1AADRA1DADRA1A
SCHEMBL7505544 0.78 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BRAB9A

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed