SCHEMBL20177980

SCHEMBL20177980

Cc1cnc(C[C@H](C)S(N)(=O)=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.38
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL18493106 0.83 APLNR (0.36) APLNR
SCHEMBL20189117 0.83 APLNR (0.37) APLNRLMNACYP1A2CYP3A4HSD17B10
SCHEMBL20189120 0.83 APLNR (0.37) APLNRLMNACYP1A2CYP3A4HSD17B10
SCHEMBL18247334 0.81 APLNR (0.33) APLNRLMNA
SCHEMBL18493105 0.80 APLNR (0.33) APLNR
SCHEMBL18247242 0.79 APLNR (0.41) APLNRLMNACYP1A2CYP3A4HSD17B10
SCHEMBL21766929 0.79 APLNR (0.51) APLNR
SCHEMBL21766928 0.79 APLNR (0.51) APLNR
SCHEMBL20168857 0.77 APLNR (0.35) APLNR
SCHEMBL20166344 0.77 APLNR (0.35) 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