SCHEMBL7284335

SCHEMBL7284335

COC(=O)CCc1ccc(N2CCN(c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
F10 P00742 2/20 0.38
EPHX2 P34913 1/20 0.37
AKT1 P31749 1/20 0.35
DRD2 P14416 5/20 0.35
S1PR1 P21453 1/20 0.35
PPIA P62937 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC1 Q13547 1/20 0.34
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8577438 0.80 HRH3 (0.35) HRH3EPHX2AKT1DRD2PPIA
SCHEMBL7272786 0.79 AKT1 (0.42) HRH3F10EPHX2AKT1S1PR1
SCHEMBL8417046 0.77 AKT2 (0.45) HRH3EPHX2AKT1S1PR1SIGMAR1
SCHEMBL27397736 0.76 MEN1 (0.51) HRH3S1PR1SIGMAR1HDAC1OPRM1
SCHEMBL7280838 0.76 HDAC1 (0.44) HRH3EPHX2S1PR1HDAC1
SCHEMBL7281838 0.75 HRH3 (0.44) HRH3EPHX2S1PR1HDAC1
SCHEMBL7283243 0.75 HRH3 (0.44) HRH3EPHX2S1PR1HDAC1
SCHEMBL7283131 0.74 HRH3 (0.43) HRH3EPHX2S1PR1HDAC1
SCHEMBL7280993 0.74 HDAC1 (0.46) HRH3S1PR1HDAC1
Hydrochloric Acid SCHEMBL7282229 0.74 HRH3 (0.43) HRH3EPHX2S1PR1HDAC1

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