SCHEMBL8446223

SCHEMBL8446223

CC(=O)c1cc(C(=O)N=C(N)N)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.45
HTR7 P34969 6/20 0.45
SLC9A1 P19634 3/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
TPH1 P17752 1/20 0.43

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
SCHEMBL8445928 0.87 PKM (0.45) SLC9A1TPH1
Hydrochloric Acid SCHEMBL8445406 0.85 PKM (0.44) HTR2BHTR7SLC9A1TPH1
Hydrochloric Acid SCHEMBL8639248 0.81 HTR5A (0.46) HTR2BHTR7
Hydrochloric Acid SCHEMBL8640890 0.78 SLC9A1 (0.60) HTR2BHTR7SLC9A1SLC9A2DRD2
Hydrochloric Acid SCHEMBL8638005 0.78 CYP1A2 (0.44) HTR2BHTR7SLC9A1
SCHEMBL7295677 0.78 PKM (0.57)
SCHEMBL14265179 0.76 TPH1 (0.56) HTR2BHTR7SLC9A1SLC9A2TPH1
Hydrochloric Acid SCHEMBL8643459 0.76 POLB (0.46) HTR2BHTR7SLC9A1SLC9A2TPH1
SCHEMBL13813415 0.75 PRSS1 (0.52) HTR2BHTR7SLC9A1SLC9A2DRD2
Hydrochloric Acid SCHEMBL8645998 0.75 HTR2B (0.41) HTR2BHTR7SLC9A1SLC9A2TPH1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628543-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1999-06-16 EP claimed
JP-6345715-A None JP disclosed
JP-8225514-A None JP disclosed
EP-0628543-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1999-06-16 EP disclosed
US-5849775-A Substituted benzoylguanidines process for their preparation, their use as a medicament or diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5679712-A ANTIARRHYTHMIA AGENTS, TREATMENT OF CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
JP-H08225514-A SUBSTITUTED BENZOYLGUANIDINE, ITS PRODUCTION, ITS USE AS MEDICINE OR DIAGNOSTIC AGENT AND MEDICINE CONTAINING THE SAME HOECHST AG 1996-09-03 JP disclosed
EP-0713864-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament of diagnostic agent as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-29 EP disclosed
JP-H06345715-A SUBSTITUTED BENZOYLGUANIDINES, THEIR PREPARATION, THEIR USE AS PHARMACEUTICAL OR DIAGNOSTIC AND PHARMACEUTICAL CONTAINING THE SAME HOECHST AG 1994-12-20 JP disclosed
EP-0628543-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-14 EP disclosed