SCHEMBL7282126

SCHEMBL7282126

C=CCCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
DRD3 P35462 11/20 0.43
DRD2 P14416 11/20 0.43
KCNH2 Q12809 7/20 0.43
DRD4 P21917 2/20 0.40
LARS1 Q9P2J5 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL7275288 0.87 DRD3 (0.38) PRMT5WDR77DRD3DRD2KCNH2
SCHEMBL7283122 0.86 DRD3 (0.39) PRMT5WDR77DRD3DRD2KCNH2
SCHEMBL8911191 0.86 OPRM1 (0.39) PRMT5WDR77DRD3DRD2KCNH2
SCHEMBL7274500 0.83 DRD3 (0.41) DRD3DRD2KCNH2LARS1
SCHEMBL7275777 0.83 DRD3 (0.48) DRD3DRD2KCNH2DRD4RAB9A
SCHEMBL8574031 0.81 HRH4 (0.34) PRMT5WDR77DRD3DRD2KCNH2
SCHEMBL7273710 0.81 LARS1 (0.37) DRD3DRD2KCNH2DRD4LARS1
SCHEMBL7276428 0.81 KCNH2 (0.35) DRD3DRD2KCNH2DRD4HRH3
SCHEMBL7272922 0.81 PAX8 (0.37) DRD3DRD2KCNH2HRH3
SCHEMBL7275516 0.80 S1PR1 (0.55) PRMT5WDR77DRD3DRD2KCNH2

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