SCHEMBL7283606

SCHEMBL7283606

COC(=O)CCN1CCN(c2cnc(-c3ccc(C#N)cc3)nc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
EGLN1 Q9GZT9 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DRD3 P35462 3/20 0.37
KCNH2 Q12809 3/20 0.37
DRD2 P14416 2/20 0.37
EGLN2 Q96KS0 2/20 0.37
CYP3A4 P08684 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7272166 0.92 S1PR1 (0.39) EP300DRD3KCNH2DRD2EGLN2
SCHEMBL7283807 0.88 S1PR1 (0.44) EP300OPRM1OPRL1EGLN1DRD3
SCHEMBL7281015 0.87 S1PR1 (0.43) EP300EGLN1CYP11B1CYP11B2DRD3
SCHEMBL7274980 0.84 KDM4E (0.40) EP300EGLN1CYP11B1CYP11B2DRD3
Hydrochloric Acid SCHEMBL7283755 0.83 ITGB3 (0.39) CYP3A4HPGDTSHRHSD17B10
SCHEMBL7281185 0.79 S1PR1 (0.49) EP300DRD3KCNH2DRD2PRMT5
SCHEMBL8911191 0.79 OPRM1 (0.39) EP300OPRM1OPRL1DRD3KCNH2
SCHEMBL7275335 0.79 DPP4 (0.40) DRD3KCNH2DRD2CYP3A4S1PR1
Hydrochloric Acid SCHEMBL7284134 0.79 S1PR1 (0.39) DRD3KCNH2DRD2CYP3A4MAPT
SCHEMBL7275061 0.79 NPC1 (0.39) EGLN1CYP11B1CYP11B2MKNK1MKNK2

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 5 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
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