SCHEMBL9872473

SCHEMBL9872473

Nc1nc2c(s1)CC(N1CCN(c3ccc(Br)cn3)CC1)CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ATR Q13535 2/20 0.37
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 2/20 0.36
SCN5A Q14524 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL9872326 0.83 LMNA (0.47) LMNAPOLBGAAMAPTTSHR
Water SCHEMBL9874025 0.82 LMNA (0.46) LMNAPOLBGAAMAPTTSHR
Water SCHEMBL9874020 0.82 LMNA (0.46) LMNAPOLBGAAMAPTTSHR
SCHEMBL9872588 0.78 DRD2 (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL9872840 0.78 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
SCHEMBL322162 0.77 LMNA (0.48) LMNAPOLBGAAMAPTTSHR
SCHEMBL7315449 0.75 LMNA (0.48) LMNAPOLBGAAMAPTTSHR
SCHEMBL9875211 0.75 LMNA (0.45) LMNAPOLBGAAMAPTTSHR
SCHEMBL1466003 0.75 AKR1C3 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL320824 0.74 DRD3 (0.46) 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