SCHEMBL7670646

SCHEMBL7670646

[CH2]C(=O)N(C)CCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
LTA4H P09960 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37

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
SCHEMBL7670649 0.82 CA12 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL4788929 0.81 MEN1 (0.60) CA12CA1CA2CA9CYP1A2
SCHEMBL4586791 0.80 CYP1A2 (0.48) CA12CA1CA2CA9CYP1A2
SCHEMBL19924991 0.80 CA12 (0.44) CA12CA1CA2CA9CYP1A2
SCHEMBL1303574 0.80 GAA (0.54) CA12CA1CA2CA9CYP1A2
SCHEMBL20125964 0.79 CA12 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL7668941 0.79 CA12 (0.62) CA12CA1CA2CA9CYP1A2
SCHEMBL3903055 0.79 DNM1 (0.50) CA12CA1CA2CA9CYP1A2
SCHEMBL14344905 0.78 CA12 (0.43) CA12CA1CA2CA9CYP1A2
SCHEMBL4093127 0.77 CYP1A2 (0.46) CA12CA1CA2CA9CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
CN-1046724-C Pyrazolopyridine compounds, pharmaceutical compositions containing them, processes for their preparation and their use FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
CN-1139928-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 CN disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed