SCHEMBL21077929

SCHEMBL21077929

N#Cc1cccc(C2(O)CCN(I)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
OPRL1 P41146 6/20 0.44
OPRM1 P35372 5/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
PKLR P30613 1/20 0.42
CCR1 P32246 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GRIN2B Q13224 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
HSD11B1 P28845 1/20 0.39
CNR1 P21554 1/20 0.38
ARRB1 P49407 1/20 0.38
AR P10275 1/20 0.37
ENPP2 Q13822 1/20 0.37
KCNA3 P22001 1/20 0.36
HIF1A Q16665 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
SCHEMBL17888200 0.85 KMT2A (0.45) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL17886585 0.82 OPRM1 (0.46) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5387141 0.81 PKLR (0.48) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL21077930 0.81 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1PKLR
SCHEMBL2270824 0.80 DRD2 (0.46) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL21078101 0.80 OPRL1 (0.52) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL612068 0.77 HSD11B1 (0.42) CNR2PKLRGRIN2BCCR2KCNH2
SCHEMBL613625 0.75 HSD11B1 (0.38) CNR2OPRL1OPRM1OPRD1OPRK1
Ethylene SCHEMBL4673777 0.75 HSD11B1 (0.40) CNR2OPRL1OPRM1OPRD1OPRK1
SCHEMBL21077926 0.75 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1

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