SCHEMBL20201097

SCHEMBL20201097

Cc1cnc([C@H](O)C(C)C)nc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.75
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL20201096 1.00 APLNR (0.75) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246176 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL22812895 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18474514 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL19550838 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246523 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246399 0.86 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL27463869 0.80 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL15274514 0.80 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL12457569 0.80 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6

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-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed