SCHEMBL7477741

SCHEMBL7477741

O=[N+]([O-])c1cccc2[nH]c(-n3ccnc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.54
PKN2 Q16513 1/20 0.54
GRIA1 P42261 4/20 0.47
GRIA2 P42262 4/20 0.47
GRIA3 P42263 4/20 0.47
GRIA4 P48058 4/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
GRIK5 Q16478 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
PDE10A Q9Y233 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 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
SCHEMBL11569434 0.77 AURKA (0.49) MGAMGAASIMGAM2
SCHEMBL7479170 0.77 MEN1 (0.43) GAA
SCHEMBL7480487 0.77 PKN1 (0.51) PKN1PKN2GRIA1GRIA2GRIA3
SCHEMBL7475300 0.75 PKN1 (0.49) PKN1PKN2ADORA3PDE10AMGAM
SCHEMBL6332531 0.73 PKN1 (0.61) PKN1PKN2ADORA3PDE10AMGAM
SCHEMBL6117926 0.72 PKN1 (0.48) PKN1PKN2ADORA3MGAMGAA
SCHEMBL312048 0.72 TP53 (0.53) PKN1PKN2ADORA3MGAMGAA
SCHEMBL1013588 0.71 PKN1 (0.60) PKN1PKN2ADORA3PDE10AMGAM
SCHEMBL990709 0.70 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL837903 0.70 PKN1 (0.58) PKN1PKN2ADORA3PDE10AMGAM

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed