SCHEMBL7422011

SCHEMBL7422011

COc1cc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.54
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HTR6 P50406 1/20 0.44
WDR5 P61964 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7967067 0.91 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7423456 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7425044 0.84 DRD2 (0.46) ALDH1A1SMN1; SMN2MAPK1KDM4EHTR6
SCHEMBL7419515 0.83 DRD2 (0.45) SMN1; SMN2MAPTMAPK1HTR6WDR5
SCHEMBL7975847 0.82 ALDH1A1 (0.47) SIRT6ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7430332 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1HTR6
SCHEMBL7371553 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL7371278 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7430844 0.79 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7419832 0.79 WDR5 (0.43) SIRT6ALDH1A1SMN1; SMN2MAPTMAPK1

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