SCHEMBL8911065

SCHEMBL8911065

COC(=O)CCC1CCC(NC(=O)N(CCOS(C)(=O)=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
DRD2 P14416 8/20 0.35
DRD3 P35462 5/20 0.35
NPY5R Q15761 1/20 0.33
SCN9A Q15858 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 2/20 0.32
HTR1A P08908 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8910493 0.87 DRD2 (0.37) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL7385405 0.79 DRD2 (0.41) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL7384873 0.79 DRD2 (0.41) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL7384878 0.79 DRD2 (0.41) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL7392978 0.77 DRD2 (0.36) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL7392980 0.77 DRD2 (0.36) KDM1ADRD2DRD3SCN9ATSHR
SCHEMBL8574886 0.75 ALDH1A1 (0.41) KMT2A
SCHEMBL8911497 0.74 PSMB5 (0.38) NPC1RAB9A
SCHEMBL8576519 0.72 PSMB5 (0.42) RAB9AMEN1KMT2A
SCHEMBL8911184 0.72 RORC (0.40) RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed