SCHEMBL21077930

SCHEMBL21077930

N#Cc1ccc(C2(O)CCN(I)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.58
OPRM1 P35372 2/20 0.58
OPRD1 P41143 2/20 0.58
OPRK1 P41145 2/20 0.58
CCR1 P32246 5/20 0.48
DRD2 P14416 3/20 0.38
MAPKAPK2 P49137 1/20 0.38
CYP19A1 P11511 1/20 0.37
PKLR P30613 1/20 0.37
KCNA3 P22001 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
AR P10275 1/20 0.36
CCR3 P51677 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
SCHEMBL4821949 0.83 OPRL1 (0.57) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL19226358 0.83 OPRM1 (0.58) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL21077929 0.81 CNR2 (0.44) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL17886582 0.80 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL4445503 0.80 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL517455 0.80 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL5804044 0.79 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL249869 0.78 OPRM1 (0.53) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL21077856 0.77 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL21078157 0.77 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1CCR1

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed