SCHEMBL12835653

SCHEMBL12835653

OC1(c2nc(I)no2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32

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
SCHEMBL21238125 0.59
SCHEMBL21339765 0.51 KDM4E (0.30)
SCHEMBL21973917 0.51 STAT3 (0.33)
SCHEMBL22167692 0.51 ENPP3 (0.37)
SCHEMBL18296429 0.48 DRD2 (0.43)
SCHEMBL14562542 0.48 DRD2 (0.43)
SCHEMBL12336881 0.48 DRD2 (0.43)
SCHEMBL1539079 0.39
SCHEMBL14466848 0.38
Ammonia Solution, Strong SCHEMBL9388163 0.37

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
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed