SCHEMBL7273305

SCHEMBL7273305

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)c(F)c3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
DRD3 P35462 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 2/20 0.38
KDM1A O60341 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 2/20 0.37
RPS6KA3 P51812 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 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
SCHEMBL7274172 0.88 AR (0.44) AR
SCHEMBL7282605 0.83 CYP11B1 (0.50) KCNH2HDAC1HRH3SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL8571479 0.82 CYP11B1 (0.49) KCNH2HDAC1HRH3SMN1; SMN2CYP3A4
SCHEMBL7281432 0.82 HRH3 (0.38) HDAC1HRH3RAB9ARPS6KA3S1PR1
SCHEMBL7273619 0.81 CYP11B1 (0.42) KCNH2KDM1AKDM4ECYP3A4MAPT
SCHEMBL7283243 0.80 HRH3 (0.44) HDAC1HRH3MAPTS1PR1
Hydrochloric Acid SCHEMBL7272076 0.80 F10 (0.38) HDAC1FFAR4HRH3RAB9ARPS6KA3
SCHEMBL7281169 0.79 CYP11B1 (0.48) KCNH2HRH3SMN1; SMN2CYP3A4GAA
SCHEMBL7276480 0.79 DRD3 (0.46) KCNH2DRD3DRD2S1PR1KCNJ1
SCHEMBL7283131 0.79 HRH3 (0.43) HDAC1HRH3MAPTS1PR1

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