SCHEMBL7962147

SCHEMBL7962147

C[N]CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
EPHX1 P07099 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
HTT P42858 1/20 0.41
IDO1 P14902 2/20 0.41
CA7 P43166 1/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL2951618 0.89 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21759065 0.84 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.83 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL891230 0.82 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15934522 0.82 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13527795 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1338814 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16772195 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1531287 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.79 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA

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