SCHEMBL7837181

SCHEMBL7837181

Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.53
SLC9A3 P48764 1/20 0.53
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
SCHEMBL7833425 0.91 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2
SCHEMBL7838555 0.90
SCHEMBL7833375 0.89 SLC9A1 (0.44) SLC9A1
SCHEMBL7836934 0.89 SLC9A1 (0.42) SLC9A1
SCHEMBL7835646 0.89 SLC9A1 (0.42) SLC9A1SLC9A3SLC9A2
SCHEMBL7838485 0.88 SLC9A1 (0.46) SLC9A1
SCHEMBL7834578 0.87 SLC9A1 (0.41) SLC9A1
SCHEMBL7824886 0.86 SLC9A1 (0.64) SLC9A1
SCHEMBL9183089 0.86 SLC9A1 (0.53) SLC9A1
SCHEMBL9259719 0.85 CKS1B (0.41)

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