SCHEMBL7964166

SCHEMBL7964166

CCOC(=O)c1cccc2[nH]c(CN3CCN(C)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.52
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
CLK2 P49760 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CAMK2D Q13557 1/20 0.48
DYRK1A Q13627 1/20 0.48
PIM3 Q86V86 1/20 0.48
AURKB Q96GD4 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
STK17A Q9UEE5 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
CHEK1 O14757 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HTR6 P50406 1/20 0.43
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7477386 0.88 HPGD (0.51) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7479562 0.85 PARP1 (0.56) PARP1PRKD3PIM1CLK2DYRK1A
SCHEMBL7482891 0.85 PRKD3 (0.49) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7485575 0.79 CHEK1 (0.52) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7474778 0.78 ALDH1A1 (0.47) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL3575162 0.77 AURKB (0.72) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7486198 0.77 PARP1 (0.50) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL6310572 0.76 PARP1 (0.49) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL6170661 0.76 PARP1 (0.64) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7474439 0.75 HTR6 (0.48) PARP1PIM1PIM3CHEK1HTR6

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 2 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