SCHEMBL20177593

SCHEMBL20177593

COc1ccc(Br)cc1-n1c(NSCCc2ccc(Cl)cc2)nnc1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 16/20 0.46
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL20177615 0.88 APLNR (0.44) APLNRMAPTHPGDGFERLMNA
SCHEMBL20166347 0.83 APLNR (0.67) APLNR
SCHEMBL20177619 0.83 APLNR (0.49) APLNRMAPTHPGDGFER
SCHEMBL20207583 0.80 APLNR (0.72) APLNR
SCHEMBL20177791 0.78 APLNR (0.39) APLNRMAPTHPGDGFER
SCHEMBL20177769 0.74 APLNR (0.47) APLNRMAPT
SCHEMBL20168650 0.72 APLNR (0.56) APLNRMAPTHPGDLMNA
SCHEMBL20207282 0.71 APLNR (0.72) APLNR
SCHEMBL20177612 0.70 APLNR (0.66) APLNR
SCHEMBL22537307 0.69 APLNR (0.58) APLNR

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-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed