SCHEMBL9872176

SCHEMBL9872176

Nc1nc2c(s1)CC(CC(=O)O)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.52
SCN9A Q15858 4/20 0.52
SCN5A Q14524 2/20 0.52
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SCN4A P35499 1/20 0.48
DRD2 P14416 7/20 0.47
DRD3 P35462 4/20 0.47
HRH2 P25021 4/20 0.47
HRH1 P35367 3/20 0.47
HRH4 Q9H3N8 3/20 0.47
ADRA2A P08913 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL14370041 0.88 SCN3A (0.52) SCN3ASCN9ASCN5ALMNAPOLB
SCHEMBL4425041 0.80 DRD2 (0.52) SCN3ASCN9ASCN5ALMNAPOLB
Bromide SCHEMBL4429410 0.78 DRD2 (0.51) SCN3ASCN9ASCN5ALMNAPOLB
SCHEMBL8280705 0.78 DRD3 (0.58) SCN3ASCN9ASCN5ALMNAPOLB
SCHEMBL23201349 0.78 SCN3A (0.62) SCN3ASCN9ASCN5ASCN4ADRD2
SCHEMBL8296502 0.78 DPP4 (0.47) SCN3ASCN9ASCN5ASCN4ADRD2
SCHEMBL6866770 0.77 DRD2 (0.50) SCN3ASCN9ASCN5ALMNAPOLB
SCHEMBL9873084 0.77 PDK1 (0.66) SCN3ASCN9ASCN5ALMNAPOLB
Thiourea SCHEMBL6094460 0.77 DRD2 (0.47) SCN3ASCN9ASCN5ALMNAPOLB
SCHEMBL9873864 0.76 MASP2 (0.51) SCN3ASCN9ASCN5ALMNAPOLB

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
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed