SCHEMBL9872575

SCHEMBL9872575

Nc1nc2c(s1)CC(N1CC=C(c3cccs3)CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 2/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN4A P35499 2/20 0.36
SCN9A Q15858 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL9874743 0.85 LMNA (0.51) LMNAPOLBGAAMAPTTSHR
SCHEMBL9874903 0.81 SIGMAR1 (0.43) LMNAPOLBGAAMAPTTSHR
SCHEMBL9874662 0.80 SCN3A (0.39) LMNAPOLBGAAMAPTTSHR
SCHEMBL9873649 0.79 SIGMAR1 (0.46) LMNAPOLBGAAMAPTTSHR
SCHEMBL9875211 0.76 LMNA (0.45) LMNAPOLBGAAMAPTTSHR
SCHEMBL7315449 0.71 LMNA (0.48) LMNAPOLBGAAMAPTTSHR
SCHEMBL322162 0.71 LMNA (0.48) LMNAPOLBGAAMAPTTSHR
SCHEMBL320824 0.71 DRD3 (0.46) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL7325859 0.70 ADRA2A (0.47) LMNAPOLBGAAMAPTTSHR
SCHEMBL6032898 0.70 APOBEC3A (0.49) 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