SCHEMBL7019202

SCHEMBL7019202

CN(C)C(=O)c1nc2[c]cccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
HRH4 Q9H3N8 2/20 0.33
MAPT P10636 1/20 0.31
PDE10A Q9Y233 2/20 0.31
ATR Q13535 1/20 0.31
FLT3 P36888 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM5A P29375 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL3045289 0.80 PARP1 (0.36) PKN1PKN2
SCHEMBL7014749 0.72 LMNA (0.33) MAPT
SCHEMBL7025568 0.70 LMNA (0.59) MAPT
SCHEMBL7970694 0.70 CHEK1 (0.48) PKN1PKN2HRH4MAPTTDP1
SCHEMBL5525401 0.70
SCHEMBL211307 0.70 ALDH1A1 (0.43) MAPTTDP1
SCHEMBL7019229 0.69 BCHE (0.38) MAPTTDP1
SCHEMBL7478700 0.69 KDM4E (0.54) PKN1PKN2
SCHEMBL4901731 0.68 POLB (0.35) HRH4MAPTFLT3
SCHEMBL16095983 0.67

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-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed