SCHEMBL7765045

SCHEMBL7765045

NC(N)=NC(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.53
HTR2B P41595 6/20 0.47
HTR7 P34969 5/20 0.47
PARP10 Q53GL7 1/20 0.45
SLC9A1 P19634 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MASP2 O00187 1/20 0.44
PLAU P00749 1/20 0.44
THPO P40225 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS3 P35030 3/20 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
SCHEMBL14265179 0.80 TPH1 (0.56) TPH1HTR2BHTR7SLC9A1NPC1
SCHEMBL8507061 0.80 HTR2B (0.55) TPH1HTR2BHTR7SLC9A1PLAU
SCHEMBL4435595 0.80 TPH1 (0.51) TPH1HTR2BHTR7SLC9A1
SCHEMBL7798553 0.80 TPH1 (0.51) TPH1HTR2BHTR7SLC9A1DRD2
SCHEMBL828587 0.79 TPH1 (0.55) TPH1HTR2BHTR7SLC9A1DRD2
SCHEMBL6791698 0.78 POLB (0.49) NPC1MAPTRAB9A
SCHEMBL6649650 0.78 POLB (0.49) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8506404 0.78 ALDH1A1 (0.54) TPH1HTR2BHTR7SLC9A1PRSS1
Hydrochloric Acid SCHEMBL27296270 0.77 TPH1 (0.53) TPH1HTR2BHTR7SLC9A1DRD2
SCHEMBL27489015 0.77 TPH1 (0.53) TPH1HTR2BHTR7SLC9A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723963-B1 4-amino-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP claimed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US claimed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP claimed
EP-0723963-B1 4-amino-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
CN-1057999-C 4-Aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
CN-1057999-C 4-Aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
EP-0556672-B1 Amino-substituted benzoylguanidines with antiarrhythmic properties HOECHST AG (DE) 1997-08-06 EP disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed