SCHEMBL9873718

SCHEMBL9873718

Nc1nc2c(s1)CC(CN1CCN(c3cccs3)CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL9874353 0.84 DRD2 (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL9875211 0.81 LMNA (0.45) LMNAPOLBGAAMAPTTSHR
SCHEMBL9873640 0.80 DRD2 (0.47) LMNAPOLBGAAMAPTTSHR
SCHEMBL9874903 0.78 SIGMAR1 (0.43) LMNAPOLBGAAMAPTTSHR
SCHEMBL9874358 0.73 DRD2 (0.58) LMNAPOLBGAAMAPTTSHR
SCHEMBL9873593 0.72 DRD2 (0.57) LMNAPOLBGAAMAPTTSHR
SCHEMBL9871472 0.70 HTR1A (0.53) DRD2DRD3
SCHEMBL9873649 0.70 SIGMAR1 (0.46) LMNAPOLBGAAMAPTTSHR
SCHEMBL4425041 0.68 DRD2 (0.52) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL4429410 0.67 DRD2 (0.51) LMNAPOLBGAAMAPTTSHR

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