SCHEMBL21077979

SCHEMBL21077979

COC1(c2ccccc2)CCN(I)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.61
OPRK1 P41145 9/20 0.61
OPRD1 P41143 8/20 0.61
OPRL1 P41146 7/20 0.61
HSD11B1 P28845 1/20 0.45
SCD5 Q86SK9 1/20 0.45
SCD O00767 1/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR7 P34969 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL12122918 0.83 OPRM1 (0.63) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL13876257 0.82 OPRM1 (0.59) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL10819396 0.79 OPRM1 (0.58) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL17465640 0.79 OPRM1 (0.64) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL14899046 0.78 OPRM1 (0.56) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL10821867 0.78 OPRM1 (0.56) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL11683633 0.77 OPRM1 (0.56) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL17220377 0.77 SCD5 (0.57) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL1040389 0.76 OPRM1 (0.54) OPRM1OPRK1OPRD1OPRL1HSD11B1
SCHEMBL1040539 0.76 OPRM1 (0.54) OPRM1OPRK1OPRD1OPRL1HSD11B1

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