SCHEMBL7834578

SCHEMBL7834578

CC(C)(C)OC(=O)NC1CCN(c2cc(C#N)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7837181 0.87 SLC9A1 (0.53) SLC9A1
SCHEMBL7833425 0.87 SLC9A1 (0.43) SLC9A1
SCHEMBL7838555 0.86
SCHEMBL9183321 0.86 SUV39H2 (0.44) PARP1
SCHEMBL7835646 0.86 SLC9A1 (0.42) SLC9A1
SCHEMBL7836934 0.86 SLC9A1 (0.42) SLC9A1
SCHEMBL7833375 0.86 SLC9A1 (0.44) SLC9A1
SCHEMBL7838485 0.85 SLC9A1 (0.46) SLC9A1
SCHEMBL7835690 0.84 SLC9A1 (0.47) SLC9A1
SCHEMBL7824886 0.81 SLC9A1 (0.64) 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