SCHEMBL7832445

SCHEMBL7832445

CS(=O)(=O)c1cc(C(=O)N=C(N)N)c(N)cc1N1CCC(N)CC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.50
SLC9A3 P48764 1/20 0.48
SLC9A2 Q9UBY0 1/20 0.48

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
SCHEMBL7833349 0.89 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2
SCHEMBL7823576 0.89 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2
SCHEMBL7823474 0.88
Hydrochloric Acid SCHEMBL7825457 0.88 SLC9A1 (0.61) SLC9A1SLC9A3SLC9A2
SCHEMBL8446576 0.87 SLC9A1 (0.65) SLC9A1SLC9A3SLC9A2
Hydrochloric Acid SCHEMBL7835986 0.87
SCHEMBL7838637 0.87 SLC9A1 (0.51) SLC9A1
SCHEMBL7835065 0.86 SLC9A1 (0.48) SLC9A1
SCHEMBL7835690 0.85 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL7836974 0.85 SLC9A1 (0.48) 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 3 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 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