SCHEMBL10508648

SCHEMBL10508648

c1ccc2[nH]c(NC3CCN(CCNc4nccs4)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 1/20 0.39
CHRNA7 P36544 1/20 0.39
PDE10A Q9Y233 1/20 0.38
DRD4 P21917 1/20 0.37
PARP1 P09874 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
SCHEMBL1151915 0.85 KCNH2 (0.59) KCNH2TSHRKDM4EGAAHSD17B10
SCHEMBL9690409 0.79 KCNH2 (0.55) KCNH2TSHRKDM4EGAAHSD17B10
SCHEMBL10749867 0.79 KCNH2 (0.59) KCNH2TSHRKDM4EGAAHSD17B10
SCHEMBL9698375 0.78 KCNH2 (0.66) KCNH2TSHRCHRNA7
Hydrochloric Acid SCHEMBL10506400 0.77 SSTR5 (0.42) KCNH2TSHR
SCHEMBL8562586 0.76 KCNH2 (0.65) KCNH2TSHRCHRNA7PDE10ADRD4
SCHEMBL11266594 0.76 KCNH2 (0.80) KCNH2TSHRGAACHRNA7
SCHEMBL7416758 0.75 KCNH2 (0.65) KCNH2TSHR
Water SCHEMBL8566156 0.73 KCNH2 (0.61) KCNH2
SCHEMBL8560605 0.73 KCNH2 (0.61) KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed