SCHEMBL7274500

SCHEMBL7274500

C=CCCN1CCN(c2ccc(-c3ccc(C#N)c(Cl)c3)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.41
DRD2 P14416 8/20 0.41
KCNH2 Q12809 6/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
AR P10275 2/20 0.38
LARS1 Q9P2J5 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7275777 0.87 DRD3 (0.48) DRD3DRD2KCNH2
SCHEMBL7282126 0.83 PRMT5 (0.43) DRD3DRD2KCNH2LARS1
SCHEMBL7279906 0.83 S1PR1 (0.48) DRD3DRD2KCNH2ARLARS1
SCHEMBL7272892 0.80 DRD3 (0.39) DRD3DRD2KCNH2AR
SCHEMBL7283122 0.75 DRD3 (0.39) DRD3DRD2KCNH2LARS1
SCHEMBL7273710 0.74 LARS1 (0.37) DRD3DRD2KCNH2LARS1
SCHEMBL7275288 0.74 DRD3 (0.38) DRD3DRD2KCNH2KDM4EALDH1A1
SCHEMBL7283006 0.71 CYP11B2 (0.41) AR
SCHEMBL8911191 0.71 OPRM1 (0.39) DRD3DRD2KCNH2LARS1
SCHEMBL7284086 0.70 S1PR1 (0.48) DRD3DRD2KCNH2

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-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
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