SCHEMBL21078006

SCHEMBL21078006

CC(=O)NC1(C)CCN(I)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
FFAR3 O14843 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL24721282 0.88 DRD2 (0.35) DRD2
SCHEMBL13103020 0.81 DRD2 (0.40) DRD2FFAR3POLBNPSR1
SCHEMBL7991761 0.79
SCHEMBL12437229 0.79 EPHX2 (0.42) DRD2
SCHEMBL14252409 0.79 DRD2 (0.39) DRD2FFAR3POLBNPSR1
SCHEMBL14421936 0.79 DRD2 (0.39) DRD2FFAR3POLBNPSR1
SCHEMBL17886632 0.76 DRD2 (0.37) DRD2
SCHEMBL16304087 0.76 DRD2 (0.37) DRD2
SCHEMBL16306650 0.76 DRD2 (0.46) DRD2POLBNPSR1
SCHEMBL1446029 0.75 HTT (0.38) DRD2FFAR3POLBNPSR1

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