SCHEMBL5256290

SCHEMBL5256290

N#CC1(CNC[C@H]2CCCC[C@@H]2NC(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.37
MLLT1 Q03111 1/20 0.36
CNR1 P21554 1/20 0.36
SLC2A1 P11166 1/20 0.33
PYGL P06737 1/20 0.32
CTSK P43235 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
SCHEMBL5254513 0.86 MLLT1 (0.54) GHSRMLLT1CNR1PYGL
SCHEMBL6833097 0.84 GHSR (0.38) GHSRMLLT1CNR1SLC2A1PYGL
SCHEMBL5260383 0.81 HDAC3 (0.40)
SCHEMBL5255161 0.81 CHRNA7 (0.44) GHSRPYGL
SCHEMBL5261814 0.80 KMT2A (0.47)
SCHEMBL5256293 0.80 GHSR (0.37) GHSRMLLT1CNR1SLC2A1PYGL
SCHEMBL5254546 0.80 MLLT1 (0.41) MLLT1PYGL
SCHEMBL5257319 0.79 F10 (0.47) PYGL
SCHEMBL5257170 0.79 MLLT1 (0.40) MLLT1PYGL
SCHEMBL5259530 0.79 PYGL (0.51) PYGL

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-1453801-B1 SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed