SCHEMBL11486753

SCHEMBL11486753

Fc1ccc(Cn2c(NC3CCN(C4CCCCC4)CC3)nc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.73
KCNH2 Q12809 6/20 0.69
NR4A2 P43354 2/20 0.69
HRH1 P35367 4/20 0.61
CYP2D6 P10635 3/20 0.61
CHRM1 P11229 3/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
EED O75530 2/20 0.61
HRH4 Q9H3N8 2/20 0.61
MEN1 O00255 1/20 0.61
MLNR O43193 1/20 0.61
CACNA1F O60840 1/20 0.61
USP2 O75604 1/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
HLA-A P04439 1/20 0.61
ERBB2 P04626 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL11279705 0.92 SSTR5 (0.66) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL26350295 0.90 KCNH2 (0.79) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9698374 0.90 KCNH2 (0.83) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9697184 0.89 KCNH2 (0.71) SSTR5KCNH2NR4A2HRH1CYP2D6
Water SCHEMBL10749354 0.88 SSTR5 (0.68) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9698238 0.88 SSTR5 (0.76) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9698587 0.86 SSTR5 (0.65) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL10529762 0.85 SSTR5 (0.78) SSTR5KCNH2NR4A2HRH1CYP2D6
Hydrochloric Acid SCHEMBL10428786 0.85 SSTR5 (0.66) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL10428789 0.84 SSTR5 (0.65) SSTR5KCNH2NR4A2HRH1CYP2D6

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
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP disclosed