SCHEMBL7823707

SCHEMBL7823707

CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1N1CCC(N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.77
SLC9A2 Q9UBY0 1/20 0.53

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
Hydrochloric Acid SCHEMBL7834575 0.99 SLC9A1 (0.75) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL7835799 0.99 SLC9A1 (0.75) SLC9A1SLC9A2
Dioxane SCHEMBL7823714 0.94 SLC9A1 (0.68) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL9181535 0.90 SLC9A1 (0.61) SLC9A1SLC9A2
SCHEMBL9177978 0.89 SLC9A1 (0.61) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL9180565 0.88 SLC9A1 (0.60) SLC9A1SLC9A2
SCHEMBL9181753 0.88 SLC9A1 (0.79) SLC9A1
SCHEMBL9185563 0.88 SLC9A1 (0.72) SLC9A1SLC9A2
SCHEMBL9182738 0.88 SLC9A1 (0.72) SLC9A1SLC9A2
SCHEMBL9278963 0.87 SLC9A1 (0.58) SLC9A1

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
EP-0667341-B1 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors MERCK PATENT GMBH (DE) 2001-08-29 EP claimed
US-5461066-A 4-amino-1-piperidylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-24 US claimed
EP-0667341-A1 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors MERCK PATENT GmbH (DE) 1995-08-16 EP claimed
EP-0667341-B1 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors MERCK PATENT GMBH (DE) 2001-08-29 EP disclosed
US-5461066-A 4-amino-1-piperidylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-24 US disclosed
EP-0667341-A1 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors MERCK PATENT GmbH (DE) 1995-08-16 EP disclosed