SCHEMBL9874353

SCHEMBL9874353

Nc1nc2c(s1)CC(CN1CCN(c3ccccc3)CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.55
DRD3 P35462 4/20 0.55
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9874358 0.89 DRD2 (0.58) DRD2DRD3LMNAPOLBGAA
SCHEMBL9873640 0.85 DRD2 (0.47) DRD2DRD3LMNAPOLBGAA
SCHEMBL9873718 0.84 LMNA (0.43) DRD2DRD3LMNAPOLBGAA
SCHEMBL9872840 0.80 LMNA (0.54) DRD2DRD3LMNAPOLBGAA
SCHEMBL9873593 0.79 DRD2 (0.57) DRD2DRD3LMNAPOLBGAA
SCHEMBL9871472 0.75 HTR1A (0.53) DRD2DRD3
SCHEMBL7881721 0.73 DRD2 (0.45) DRD2DRD3LMNAPOLBGAA
SCHEMBL9874903 0.72 SIGMAR1 (0.43) DRD2DRD3LMNAPOLBGAA
SCHEMBL10075564 0.71 DRD2 (1.00) DRD2DRD3MAPT
SCHEMBL9872533 0.71 DRD2 (0.49) 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