SCHEMBL9874903

SCHEMBL9874903

Nc1nc2c(s1)CC(CN1CC=C(c3cccs3)CC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN9A Q15858 2/20 0.39
SCN3A Q9NY46 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN4A P35499 1/20 0.37

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
SCHEMBL9873649 0.90 SIGMAR1 (0.46) SIGMAR1DRD2LMNAPOLBGAA
SCHEMBL9873593 0.86 DRD2 (0.57) DRD2DRD4DRD3LMNAPOLB
SCHEMBL9872575 0.81 LMNA (0.42) SIGMAR1DRD2DRD4DRD3LMNA
SCHEMBL9874662 0.78 SCN3A (0.39) DRD2DRD3LMNAPOLBGAA
SCHEMBL9873718 0.78 LMNA (0.43) DRD2DRD3LMNAPOLBGAA
SCHEMBL9875015 0.78 DRD2 (0.57) DRD2DRD4DRD3LMNAPOLB
SCHEMBL9872533 0.76 DRD2 (0.49) DRD2DRD4DRD3LMNAPOLB
SCHEMBL9374318 0.73 DRD2 (0.76) SIGMAR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7783718 0.72 DRD2 (0.74) SIGMAR1DRD2DRD4DRD3
SCHEMBL9874353 0.72 DRD2 (0.55) DRD2DRD3LMNAPOLBGAA

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