SCHEMBL23100271

SCHEMBL23100271

C#CCOCCOCCOCCOCCCNCCN1CCC(Nc2nc3ccccc3n2Cc2nc(C)ccc2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.45
NR4A2 P43354 1/20 0.45
SSTR5 P35346 4/20 0.44
EED O75530 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL23100268 0.96 KCNH2 (0.46) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100267 0.90 KCNH2 (0.46) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100269 0.89 KCNH2 (0.44) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100266 0.89 KCNH2 (0.44) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100435 0.89 KCNH2 (0.49) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100681 0.88 KCNH2 (0.49) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100359 0.84 KCNH2 (0.54) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100427 0.83 KCNH2 (0.53) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23100549 0.79 KCNH2 (0.56) KCNH2NR4A2SSTR5EEDMEN1
SCHEMBL23101039 0.79 KCNH2 (0.52) KCNH2NR4A2SSTR5EEDMEN1

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
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed