SCHEMBL7276480

SCHEMBL7276480

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)c(F)c3)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.46
KCNH2 Q12809 3/20 0.46
DRD2 P14416 3/20 0.45
GPR119 Q8TDV5 1/20 0.40
S1PR1 P21453 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
EGLN2 Q96KS0 3/20 0.38
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 2/20 0.38
KCNJ1 P48048 1/20 0.38
PKM P14618 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
SCHEMBL7272892 0.88 DRD3 (0.39) DRD3KCNH2DRD2S1PR1DPP4
SCHEMBL7284086 0.88 S1PR1 (0.48) DRD3KCNH2DRD2GPR119S1PR1
SCHEMBL7281015 0.84 S1PR1 (0.43) DRD3KCNH2DRD2S1PR1CYP11B1
Hydrochloric Acid SCHEMBL7273081 0.81 S1PR1 (0.38) DRD3KCNH2DRD2S1PR1DPP4
SCHEMBL7275777 0.80 DRD3 (0.48) DRD3KCNH2DRD2CYP11B1CYP11B2
SCHEMBL7273305 0.79 KCNH2 (0.39) DRD3KCNH2DRD2S1PR1CYP11B1
SCHEMBL7272166 0.77 S1PR1 (0.39) DRD3KCNH2DRD2S1PR1EGLN2
SCHEMBL7283860 0.77 S1PR1 (0.49) DRD3DRD2S1PR1PKM
SCHEMBL7275335 0.77 DPP4 (0.40) DRD3KCNH2DRD2S1PR1DPP4
SCHEMBL7274980 0.76 KDM4E (0.40) DRD3KCNH2DRD2S1PR1CYP11B1

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