SCHEMBL21077853

SCHEMBL21077853

OC1(c2ccc(Cl)cc2)CCN(I)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.57
DRD2 P14416 3/20 0.56
OPRL1 P41146 6/20 0.55
OPRM1 P35372 4/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
SLC18A3 Q16572 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.51
ADRA1A P35348 1/20 0.49

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
SCHEMBL29090112 0.81 DRD2 (0.72) CCR3DRD2OPRL1OPRM1OPRD1
SCHEMBL21078157 0.81 OPRM1 (0.55) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL11205205 0.81 CCR3 (0.57) CCR3DRD2OPRL1OPRM1OPRD1
SCHEMBL3591423 0.81 CCR3 (0.57) CCR3DRD2OPRL1OPRM1OPRD1
SCHEMBL21077856 0.81 OPRM1 (0.55) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL3591425 0.81 CCR3 (0.57) CCR3DRD2OPRL1OPRM1OPRD1
SCHEMBL21077875 0.80 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1
SCHEMBL21077926 0.80 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1
SCHEMBL14307260 0.79 CCR3 (0.69) CCR3DRD2OPRL1OPRM1ADRA1A
SCHEMBL21078101 0.79 OPRL1 (0.52) CCR3DRD2OPRL1OPRM1OPRD1

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