SCHEMBL7967546

SCHEMBL7967546

CN(C)CCc1nc2c(N)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 2/20 0.38
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDE10A Q9Y233 1/20 0.36
HTR2B P41595 3/20 0.36
HTR1A P08908 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7479051 0.84 CHEK1 (0.53) CHEK1MAPTPOLBMEN1GAA
SCHEMBL7964155 0.83 CHEK1 (0.58) CHEK1MAPTPOLBMEN1GAA
SCHEMBL8599171 0.79 CHEK1 (0.61) CHEK1MAPTPOLBMEN1GAA
SCHEMBL6994637 0.79 CHEK1 (0.56) CHEK1MAPTPOLBMEN1GAA
SCHEMBL7963781 0.78 MEN1 (0.43) CHEK1MAPTPOLBMEN1GAA
SCHEMBL5736933 0.77 CHEK1 (0.55) CHEK1MAPTPOLBMEN1GAA
SCHEMBL7482602 0.76 PKN1 (0.49) MAPTMEN1GAAKMT2AHTR2A
SCHEMBL3938941 0.76 CHEK1 (0.57) CHEK1MAPTPOLBMEN1GAA
SCHEMBL7484714 0.76 MAPT (0.50) CHEK1MAPTPOLBMEN1GAA
SCHEMBL7020507 0.75 CSNK2A2 (0.48) CHEK1MAPTPOLBMEN1GAA

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