SCHEMBL7477263

SCHEMBL7477263

CC(C)(C)OC(=O)N1CCc2ccc(N3CCN(C4CCNCC4)C3=O)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.51
NR1H2 P55055 1/20 0.47
KHK P50053 4/20 0.45
ESR2 Q92731 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
GPR119 Q8TDV5 5/20 0.40
TP53 P04637 1/20 0.40
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
IGF1R P08069 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL7478863 0.79 NR1H2 (0.54) USP30NR1H2ESR2NPC1RAB9A
SCHEMBL3607083 0.78 USP30 (0.52) USP30NR1H2ESR2NPC1RAB9A
SCHEMBL5458949 0.77 ESR2 (0.52) NR1H2ESR2NPC1RAB9AKDM4E
SCHEMBL7419930 0.77 NR1H2 (0.49) USP30NR1H2ESR2NPC1RAB9A
SCHEMBL4638117 0.76 NR1H2 (0.54) NR1H2ESR2NPC1RAB9AKDM4E
SCHEMBL7473247 0.75 NR1H2 (0.47) USP30NR1H2ESR2NPC1RAB9A
SCHEMBL20929267 0.75 NR1H2 (0.64) USP30NR1H2ESR2NPC1RAB9A
SCHEMBL6671296 0.75 HRH3 (0.57) NR1H2ESR2NPC1RAB9AGPR119
SCHEMBL14335350 0.75 DDB1 (0.46) NPC1RAB9AKDM4EMAPTTHRB
Hydrochloric Acid SCHEMBL7472741 0.74 ACHE (0.41) USP30KHK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed