SCHEMBL20180743

SCHEMBL20180743

Cc1cnc(C(C)C(C)O)nc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.68
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
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
SCHEMBL18246523 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL18246176 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL18474514 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL19550838 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL18246399 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL22812895 0.81 APLNR (1.00) APLNRATMCCR1CCR5CCR8
SCHEMBL24080199 0.80 APLNR (0.55) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL15274514 0.80 APLNR (0.67) APLNRMAPK1ATMCCR1CCR5
SCHEMBL12457569 0.80 APLNR (0.67) APLNRMAPK1ATMCCR1CCR5
SCHEMBL27463869 0.80 APLNR (0.67) APLNRMAPK1ATMCCR1CCR5

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-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed