SCHEMBL10069997

SCHEMBL10069997

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.50
RORC P51449 3/20 0.49
PDE4B Q07343 9/20 0.47
TACR1 P25103 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NOTCH1 P46531 2/20 0.40

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
SCHEMBL30796672 0.89 USP30 (0.51) USP30RORCPDE4BTACR1KDM4E
SCHEMBL527777 0.88 RORC (0.47) USP30RORCPDE4BTACR1NOTCH1
SCHEMBL10277788 0.87 PDE4B (0.57) USP30RORCPDE4BTACR1
SCHEMBL10277792 0.87 PDE4B (0.57) USP30RORCPDE4BTACR1
SCHEMBL10277789 0.87 PDE4B (0.57) USP30RORCPDE4BTACR1
SCHEMBL19385185 0.86 RORC (0.49) USP30RORCPDE4BKDM4ENOTCH1
SCHEMBL31171279 0.85 RORC (0.45) USP30RORCPDE4BTACR1NOTCH1
SCHEMBL326647 0.85 PDE4B (0.68) USP30RORCPDE4BTACR1PDE4A
SCHEMBL10277512 0.85 PDE4B (0.68) USP30RORCPDE4BTACR1PDE4A
SCHEMBL31171278 0.85 RORC (0.45) USP30RORCPDE4BTACR1NOTCH1

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-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed