SCHEMBL7823729

SCHEMBL7823729

NC(N)=NC(=O)c1cc(C(=O)N2CCC(O)CC2)cc(-n2cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 18/20 0.43
CYP2C9 P11712 9/20 0.43
CYP2C19 P33261 6/20 0.43
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.39
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.38

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 SCHEMBL7827756 0.83 HPGD (0.55) SLC9A1CYP2C19CYP2D6ALDH1A1GRM5
Hydrochloric Acid SCHEMBL27401309 0.80 SLC9A1 (0.42) SLC9A1
Hydrochloric Acid SCHEMBL7822585 0.80 SLC9A1 (0.42) SLC9A1
SCHEMBL8699873 0.79 ALDH1A1 (0.38) CYP2C19CYP2D6ALDH1A1GRM5
SCHEMBL1388080 0.79 SLC9A1 (0.43) SLC9A1
SCHEMBL7829966 0.78 RBP4 (0.43) CYP2C19CYP2D6ALDH1A1GRM5
SCHEMBL7826366 0.76 SLC9A1 (0.39) SLC9A1ALDH1A1
SCHEMBL9390883 0.75 SLC9A1 (0.41) SLC9A1
Hydrochloric Acid SCHEMBL7816917 0.74 SLC9A1 (0.40) SLC9A1
SCHEMBL8183732 0.74 SLC9A1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed