SCHEMBL7272089

SCHEMBL7272089

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2S(C)(=O)=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KDM1A O60341 2/20 0.37
MAOB P27338 2/20 0.37
PAX8 Q06710 4/20 0.36
EGLN1 Q9GZT9 1/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 1/20 0.34
WDR5 P61964 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL7282182 0.87 ACLY (0.37) MAPTNPC1MAPK1RAB9AKDM1A
SCHEMBL7281215 0.87 MAPT (0.38) MAPTNPC1MAPK1RAB9AKDM1A
SCHEMBL7275584 0.87 MAPT (0.38) MAPTNPC1MAPK1RAB9AKDM1A
SCHEMBL7280568 0.86 PAX8 (0.38) MAPTNPC1MAPK1RAB9APAX8
SCHEMBL7272997 0.84 EGLN1 (0.37) MAPTNPC1MAPK1RAB9AKDM1A
Hydrochloric Acid SCHEMBL7281082 0.84 REN (0.37) F10MAPTNPC1MAPK1RAB9A
SCHEMBL7275630 0.83 WDR5 (0.41) MAPTNPC1MAPK1RAB9AKDM1A
SCHEMBL7273180 0.83 MAPT (0.47) MAPTNPC1MAPK1RAB9APAX8
SCHEMBL7281015 0.82 S1PR1 (0.43) MAPTKDM1AMAOBEGLN1KDM4E
SCHEMBL7284325 0.80 HTT (0.35) MAPTNPC1MAPK1RAB9AKDM1A

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