SCHEMBL7480487

SCHEMBL7480487

O=[N+]([O-])c1cccc2[nH]c(Cn3ccnc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
CYP19A1 P11511 12/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP11B1 P15538 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
DRD4 P21917 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TBXAS1 P24557 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL7969778 0.80 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2SMN1; SMN2KMT2A
SCHEMBL6995989 0.78 PKN1 (0.57) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL7473327 0.77 DRD4 (0.57) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL7477741 0.77 PKN1 (0.54) PKN1PKN2ADORA3GRIA1GRIA2
SCHEMBL7476376 0.76 DRD4 (0.56) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL4888425 0.75 PKN1 (0.55) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL15228495 0.75 PKN1 (0.55) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL8598342 0.75 GAA (0.56) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL3947018 0.75 PKN1 (0.55) PKN1PKN2ALDH1A1ADORA3DRD4
SCHEMBL7471339 0.75 TYR (0.48) PKN1PKN2ALDH1A1ADORA3DRD4

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