SCHEMBL9873649

SCHEMBL9873649

Nc1nc2c(s1)CC(CCN1CC=C(c3cccs3)CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 6/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN3A Q9NY46 3/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN4A P35499 2/20 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
SCHEMBL9874903 0.90 SIGMAR1 (0.43) SIGMAR1DRD2LMNAPOLBGAA
SCHEMBL9872533 0.86 DRD2 (0.49) DRD2LMNAPOLBGAAMAPT
SCHEMBL9872575 0.79 LMNA (0.42) SIGMAR1DRD2LMNAPOLBGAA
SCHEMBL9874662 0.76 SCN3A (0.39) DRD2LMNAPOLBGAAMAPT
SCHEMBL9873593 0.76 DRD2 (0.57) DRD2LMNAPOLBGAAMAPT
SCHEMBL9874358 0.73 DRD2 (0.58) DRD2LMNAPOLBGAAMAPT
SCHEMBL9367259 0.73 SIGMAR1 (0.49) SIGMAR1DRD2GAAMAPT
SCHEMBL9873718 0.70 LMNA (0.43) DRD2LMNAPOLBGAAMAPT
SCHEMBL9871472 0.70 HTR1A (0.53) DRD2
SCHEMBL9875015 0.68 DRD2 (0.57) DRD2LMNAPOLBGAAMAPT

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