SCHEMBL20112865

SCHEMBL20112865

Fc1cc(I)cc2cn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.46
LRRK2 Q5S007 1/20 0.35
ADORA2A P29274 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TRPA1 O75762 3/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
METAP2 P50579 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL11577937 0.81 METAP2 (0.39) NOS1LRRK2ADORA2ATRPA1FGFR1
SCHEMBL766959 0.76 NOS1 (0.46) NOS1LRRK2ADORA2ATRPA1FGFR1
SCHEMBL3515094 0.76 MAPT (0.46) NOS1LRRK2ADORA2AMAPKAPK2TRPA1
SCHEMBL19204828 0.76 LRRK2 (0.40) NOS1LRRK2ADORA2ATRPA1FGFR1
SCHEMBL18107535 0.76 FGFR1 (0.44) NOS1LRRK2ADORA2ATRPA1FGFR1
SCHEMBL19204860 0.76 NOS1 (0.46) NOS1LRRK2ADORA2ATRPA1FGFR1
SCHEMBL15759797 0.76 NOS1 (0.46) NOS1MAPKAPK2TRPA1FGFR1MAPT
SCHEMBL30099420 0.76 NOS1 (0.50) NOS1MAPKAPK2FGFR1FGFR2METAP2
SCHEMBL20106902 0.76 RXRA (0.47) NOS1ADORA2ATRPA1METAP2
SCHEMBL20085784 0.72 SLC2A1 (0.37) NOS1LRRK2ADORA2ATRPA1FGFR1

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-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed