SCHEMBL7836934

SCHEMBL7836934

COc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42

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
SCHEMBL7833425 0.89 SLC9A1 (0.43) SLC9A1
SCHEMBL7837181 0.89 SLC9A1 (0.53) SLC9A1
SCHEMBL7838555 0.88
SCHEMBL7835646 0.87 SLC9A1 (0.42) SLC9A1
SCHEMBL7833375 0.87 SLC9A1 (0.44) SLC9A1
SCHEMBL9177701 0.87 SUV39H2 (0.42)
SCHEMBL7838485 0.86 SLC9A1 (0.46) SLC9A1
SCHEMBL7834578 0.86 SLC9A1 (0.41) SLC9A1
SCHEMBL7835065 0.85 SLC9A1 (0.48) SLC9A1
Hydrochloric Acid SCHEMBL7836893 0.84 SLC9A1 (0.47) 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