SCHEMBL7274147

SCHEMBL7274147

COC(=O)CN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
EP300 Q09472 1/20 0.41
HDAC1 Q13547 5/20 0.41
EGLN1 Q9GZT9 1/20 0.39
DPP4 P27487 3/20 0.39
HTT P42858 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7275181 0.93 KDM4E (0.41) PRMT5WDR77EP300HDAC1EGLN1
SCHEMBL7281015 0.88 S1PR1 (0.43) PRMT5WDR77EP300HDAC1EGLN1
SCHEMBL7273978 0.84 KMT2A (0.48) PRMT5WDR77EP300HDAC1KDM4E
SCHEMBL7275292 0.81 KCNJ1 (0.44) EGLN1KDM4EPOLBALDH1A1KCNH2
Hydrochloric Acid SCHEMBL7274970 0.79 ITGB3 (0.46) HDAC1
SCHEMBL7274584 0.78 MAPT (0.46) POLBALDH1A1HRH3KMT2AL3MBTL1
SCHEMBL7275516 0.78 S1PR1 (0.55) PRMT5WDR77HDAC1DPP4DRD2
SCHEMBL7282605 0.77 CYP11B1 (0.50) PRMT5WDR77EP300HDAC1HTT
SCHEMBL7274980 0.77 KDM4E (0.40) PRMT5WDR77EP300EGLN1DPP4
SCHEMBL7272166 0.76 S1PR1 (0.39) EP300HDAC1DPP4DRD2DRD3

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 9 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-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 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
EP-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 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-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 EP 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