SCHEMBL7283122

SCHEMBL7283122

C=CCCN1CCN(c2ccc(-c3ncc(C#N)cn3)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.39
DRD2 P14416 11/20 0.39
KCNH2 Q12809 7/20 0.39
LARS1 Q9P2J5 1/20 0.37
DRD4 P21917 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HDAC1 Q13547 2/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL8911191 0.91 OPRM1 (0.39) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL7275288 0.87 DRD3 (0.38) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL7282126 0.86 PRMT5 (0.43) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL7281185 0.83 S1PR1 (0.49) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL7273710 0.82 LARS1 (0.37) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL7272166 0.79 S1PR1 (0.39) DRD3DRD2KCNH2LARS1HDAC1
SCHEMBL7274500 0.75 DRD3 (0.41) DRD3DRD2KCNH2LARS1
SCHEMBL7275777 0.75 DRD3 (0.48) DRD3DRD2KCNH2DRD4RAB9A
SCHEMBL7283807 0.74 S1PR1 (0.44) DRD3DRD2KCNH2LARS1DRD4
SCHEMBL8574031 0.73 HRH4 (0.34) DRD3DRD2KCNH2DRD4PRMT5

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