SCHEMBL7694522

SCHEMBL7694522

CSCc1cccc2c1OCCC(C(=O)N=C(N)N)=C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.34
SLC9A5 Q14940 1/20 0.34
SLC9A2 Q9UBY0 1/20 0.34
MTNR1A P48039 6/20 0.33
PARP1 P09874 1/20 0.33
PLAU P00749 1/20 0.31

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 SCHEMBL7701189 0.83 SLC9A1 (0.33) SLC9A1SLC9A5SLC9A2MTNR1APARP1
Hydrochloric Acid SCHEMBL7694486 0.82 SLC9A1 (0.35) SLC9A1SLC9A5SLC9A2PARP1PLAU
SCHEMBL7700277 0.81 SLC9A1 (0.34) SLC9A1SLC9A5SLC9A2MTNR1APARP1
SCHEMBL7700010 0.81 CA12 (0.46) MTNR1A
SCHEMBL7694517 0.81 MTNR1A (0.34) MTNR1APARP1
SCHEMBL7383369 0.79 SLC9A1 (0.39) SLC9A1SLC9A5SLC9A2PARP1
Hydrochloric Acid SCHEMBL7700819 0.79 PARP1 (0.38) SLC9A1SLC9A5SLC9A2PARP1PLAU
Hydrochloric Acid SCHEMBL7695478 0.78 HTR2B (0.36) SLC9A1PARP1
SCHEMBL7381905 0.78 SLC9A1 (0.44) SLC9A1SLC9A5SLC9A2PARP1
SCHEMBL7701182 0.78 PARP1 (0.43) SLC9A1SLC9A5SLC9A2PARP1PLAU

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed