SCHEMBL6957614

SCHEMBL6957614

CN1C(=O)CN(CCc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC6 Q9UBN7 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
MCHR1 Q99705 1/20 0.45
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MGLL Q99685 1/20 0.44
TSHR P16473 3/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
HDAC1 Q13547 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL7212064 0.84 ENPP2 (0.53) ACHEKMT2AMEN1MAPTUSP2
SCHEMBL4283301 0.76 KMT2A (0.56) ACHEKMT2AMEN1GAAMAPT
SCHEMBL11398219 0.75 MEN1 (0.36) ACHEKMT2AMEN1GAAMAPT
SCHEMBL11789844 0.75 KMT2A (0.81) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL31161862 0.74 ACHE (0.55) ACHEKMT2AMEN1GAAMAPT
SCHEMBL11513541 0.73 NPC1 (0.58) ACHEKMT2AMEN1GAAMAPT
SCHEMBL5821824 0.72 RAB9A (0.62) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL7212105 0.71 L3MBTL1 (0.42) ACHEHTTL3MBTL1HDAC6TSHR
SCHEMBL23004832 0.71 ACHE (0.58) ACHEKMT2AMEN1GAAMAPT
SCHEMBL13504059 0.71 SLC6A3 (0.49) ACHEKMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101863877-A Be used for the treatment of the treatment of pain agent EURO CELTIQUE SA 2010-10-20 CN disclosed
CN-1835751-B Therapeutic agent for treating pain EURO CELTIQUE SA 2010-06-23 CN disclosed
CN-1835751-A therapeutic agent for treating pain EURO CELTIQUE SA (LU) 2006-09-20 CN disclosed
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP disclosed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US disclosed