SCHEMBL6408491

SCHEMBL6408491

NCCN1CCC(Nc2nc3ccccc3n2Cc2ncccc2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.54
NR4A2 P43354 1/20 0.54
SSTR5 P35346 4/20 0.52
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
EED O75530 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 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
SCHEMBL23100549 0.87 KCNH2 (0.56) KCNH2NR4A2SSTR5HRH1HRH4
Water SCHEMBL6875667 0.86 KCNH2 (0.55) KCNH2NR4A2SSTR5HRH1HRH4
Hydrochloric Acid SCHEMBL4985957 0.85 KCNH2 (0.54) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL4987366 0.84 HRH1 (0.58) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL5114196 0.82 SSTR5 (0.54) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL14173569 0.81 KCNH2 (0.50) KCNH2NR4A2SSTR5HRH1HRH4
Bromide SCHEMBL9698190 0.81 KCNH2 (0.73) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL5531002 0.81 SSTR5 (0.52) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL14173608 0.80 KCNH2 (0.57) KCNH2NR4A2SSTR5HRH1HRH4
Bromide SCHEMBL10507938 0.79 SSTR5 (0.66) KCNH2NR4A2SSTR5HRH1HRH4

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-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 US claimed
EP-1196408-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-09-15 EP claimed