SCHEMBL20177615

SCHEMBL20177615

COc1ccccc1-n1c(NSCCc2ccc(Cl)cc2)nnc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 11/20 0.44
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CACNA1B Q00975 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL20177593 0.88 APLNR (0.46) APLNRMAPTHPGDGFERLMNA
SCHEMBL20177619 0.86 APLNR (0.49) APLNRMAPTHPGDGFER
SCHEMBL20177612 0.82 APLNR (0.66) APLNR
SCHEMBL20177791 0.79 APLNR (0.39) APLNRMAPTHPGDGFERMAPK1
SCHEMBL22537211 0.79 APLNR (0.70) APLNR
SCHEMBL20207465 0.78 APLNR (0.71) APLNR
SCHEMBL20200967 0.77 APLNR (0.56) APLNRHPGDALDH1A1POLBNPC1
SCHEMBL20177769 0.76 APLNR (0.47) APLNRMAPTALDH1A1
SCHEMBL22537345 0.73 APLNR (0.44) APLNR
SCHEMBL22812762 0.73 APLNR (0.55) 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