SCHEMBL20100276

SCHEMBL20100276

C1CNC2=C(C1)CNCC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.33

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
SCHEMBL19270306 0.85
SCHEMBL20100268 0.74
SCHEMBL5056719 0.74 OR51E2 (0.39) OR51E2
SCHEMBL6824902 0.73 PNMT (0.37)
SCHEMBL8059506 0.69 PNMT (0.33)
SCHEMBL21872964 0.69 FKBP5 (0.43) OR51E2
SCHEMBL29056281 0.68
SCHEMBL22908209 0.67
SCHEMBL13879325 0.67
SCHEMBL8866832 0.67 OR51E2 (0.47) OR51E2

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-2018079628-A1 PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 2018-05-03 WO disclosed