SCHEMBL807208

SCHEMBL807208

CC(C)(C)OC(=O)N1CC(N)[C@H](c2cccc(-c3ccccc3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.52
USP30 Q70CQ3 8/20 0.48
NR1H2 P55055 3/20 0.46
RXRA P19793 2/20 0.46
NR1H3 Q13133 2/20 0.46
TACR1 P25103 2/20 0.46
PDE4B Q07343 4/20 0.45
TNF P01375 1/20 0.42

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
SCHEMBL2241984 0.90 USP30 (0.53) RORCUSP30NR1H2RXRANR1H3
SCHEMBL12362416 0.90 USP30 (0.53) RORCUSP30NR1H2RXRANR1H3
SCHEMBL12354146 0.90 USP30 (0.53) RORCUSP30NR1H2RXRANR1H3
SCHEMBL13975432 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL2331698 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL376884 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL15730035 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL10238398 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL528059 0.89 RORC (0.62) RORCUSP30TACR1PDE4B
SCHEMBL528139 0.85 DPP4 (0.51) RORCTACR1PDE4B

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-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed