SCHEMBL7276428

SCHEMBL7276428

C=CCCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2SC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
HRH3 Q9Y5N1 10/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN7A Q01118 1/20 0.33
DRD4 P21917 2/20 0.32
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
PAX8 Q06710 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL7272922 0.84 PAX8 (0.37) KCNH2DRD2DRD3HRH3PAX8
SCHEMBL7275676 0.84 MMP2 (0.40) KCNH2DRD2DRD3HRH3KDM4E
SCHEMBL7272997 0.82 EGLN1 (0.37) KCNH2DRD2DRD3HRH3KDM4E
SCHEMBL7282126 0.81 PRMT5 (0.43) KCNH2DRD2DRD3HRH3DRD4
SCHEMBL7283888 0.80 KCNH2 (0.34) KCNH2DRD2DRD3HRH3DRD4
SCHEMBL8911191 0.75 OPRM1 (0.39) KCNH2DRD2DRD3DRD4HRH4
SCHEMBL8574031 0.74 HRH4 (0.34) KCNH2DRD2DRD3HRH3DRD4
SCHEMBL7275679 0.74 CRHR1 (0.41) HRH3SCN7AHRH2HRH1HRH4
SCHEMBL7275288 0.73 DRD3 (0.38) KCNH2DRD2DRD3KDM4EALDH1A1
SCHEMBL7283122 0.71 DRD3 (0.39) KCNH2DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP 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
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed