SCHEMBL21159314

SCHEMBL21159314

FC1C2CC(c3nnc4c(Cl)nccn34)CC12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.33
HSD11B1 P28845 8/20 0.32
NR1I2 O75469 1/20 0.32
ADORA2A P29274 2/20 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
SCHEMBL21138323 0.82 HSD11B1 (0.38) ADORA3HSD11B1NR1I2
SCHEMBL21138249 0.80 HSD11B1 (0.45) ADORA3HSD11B1NR1I2
SCHEMBL21138331 0.79 HSD11B1 (0.47) ADORA3HSD11B1NR1I2
SCHEMBL21057356 0.78 HSD11B1 (0.37) ADORA3HSD11B1ADORA2A
SCHEMBL21138816 0.78 HSD11B1 (0.49) ADORA3HSD11B1NR1I2
SCHEMBL21138800 0.77 ADORA3 (0.34) ADORA3HSD11B1NR1I2ADORA2A
SCHEMBL21159625 0.76 HSD11B1 (0.33) ADORA3HSD11B1NR1I2
SCHEMBL21138372 0.76 HSD11B1 (0.50) ADORA3HSD11B1NR1I2
SCHEMBL21138911 0.75 HSD11B1 (0.37) ADORA3HSD11B1NR1I2
SCHEMBL21057425 0.75 HSD11B1 (0.37) ADORA3HSD11B1NR1I2ADORA2A

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed