SCHEMBL8553629

SCHEMBL8553629

COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.47
SSTR5 P35346 8/20 0.47
EED O75530 2/20 0.47
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL7494606 0.96 KCNH2 (0.49) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7503199 0.94 TACR2 (0.47) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL8553626 0.92 KCNH2 (0.48) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7493079 0.91 KCNH2 (0.43) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7488424 0.89 KCNH2 (0.40) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7500614 0.88 KCNH2 (0.41) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7488268 0.88 KCNH2 (0.45) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7497651 0.88 KCNH2 (0.40) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7491730 0.88 KCNH2 (0.40) KCNH2SSTR5EEDHRH1HRH4
SCHEMBL7491364 0.87 KCNH2 (0.39) KCNH2SSTR5EEDHRH1HRH4

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-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 US disclosed