SCHEMBL8720598

SCHEMBL8720598

Fc1ccc(NC(=S)Nc2ccc3[nH]cc(C4=CCN5CCCCC5CC4)c3c2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
SLC6A4 P31645 5/20 0.41
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 3/20 0.34
HTR1A P08908 2/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL8723863 0.91 SLC6A4 (0.41) NOS3NOS1SLC6A4MAPTPOLB
SCHEMBL8723621 0.85 NOS3 (0.44) NOS3NOS1SLC6A4MAPTPOLB
SCHEMBL8721897 0.84 NOS3 (0.43) NOS3NOS1SLC6A4MAPTDRD2
SCHEMBL8725951 0.83 MAPT (0.49) NOS3NOS1MAPTPOLB
SCHEMBL7485764 0.83 SLC6A4 (0.63) NOS3NOS1SLC6A4
SCHEMBL8721916 0.81 NOS3 (0.47) NOS3NOS1SLC6A4MAPTPOLB
SCHEMBL8386958 0.80 NOS3 (0.42) NOS3NOS1SLC6A4MAPTPOLB
SCHEMBL8383229 0.79 SLC6A4 (0.56) SLC6A4DRD2HTR1A
SCHEMBL8722143 0.79 NOS3 (0.47) NOS3NOS1SLC6A4MAPTDRD2
SCHEMBL8386633 0.79 NOS3 (0.41) NOS3NOS1SLC6A4MAPTPOLB

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-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed