SCHEMBL11279705

SCHEMBL11279705

c1ccc(Cn2c(NC3CCN(C4CCCCC4)CC3)nc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.66
KCNH2 Q12809 7/20 0.56
NR4A2 P43354 2/20 0.56
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
EED O75530 2/20 0.51
MEN1 O00255 1/20 0.51
MLNR O43193 1/20 0.51
CACNA1F O60840 1/20 0.51
USP2 O75604 1/20 0.51
ABCB11 O95342 1/20 0.51
EGFR P00533 1/20 0.51
HLA-A P04439 1/20 0.51
ERBB2 P04626 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL11486753 0.92 SSTR5 (0.73) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL11478926 0.85 HPGD (0.52) SSTR5LMNAGAAMEN1TP53
SCHEMBL9681405 0.84 SSTR5 (0.71) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL9698238 0.84 SSTR5 (0.76) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL11472239 0.82 SSTR5 (0.55) SSTR5KCNH2NR4A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL11271737 0.82 SSTR5 (0.68) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL9698374 0.81 KCNH2 (0.83) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL11381151 0.81 SSTR5 (0.88) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL26350295 0.81 KCNH2 (0.79) SSTR5KCNH2NR4A2OPRM1OPRD1
SCHEMBL9697184 0.80 KCNH2 (0.71) SSTR5KCNH2NR4A2OPRM1OPRD1

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-0005318-B1 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) 1982-01-06 EP disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US disclosed