SCHEMBL20177619

SCHEMBL20177619

COc1cccc(Br)c1-n1c(NSCCc2ccc(Cl)cc2)nnc1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 19/20 0.49
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL20177769 0.91 APLNR (0.47) APLNRMAPT
SCHEMBL20177791 0.91 APLNR (0.39) APLNRMAPTHPGDGFER
SCHEMBL20177615 0.86 APLNR (0.44) APLNRMAPTHPGDGFER
SCHEMBL20177618 0.83 APLNR (0.71) APLNR
SCHEMBL20177593 0.83 APLNR (0.46) APLNRMAPTHPGDGFER
SCHEMBL20177966 0.81 ALDH1A1 (0.40) APLNRMAPTHPGD
SCHEMBL20168388 0.81 APLNR (0.60) APLNR
SCHEMBL20200844 0.79 APLNR (0.62) APLNR
SCHEMBL20166129 0.76 APLNR (0.80) APLNR
SCHEMBL22537345 0.76 APLNR (0.44) 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