SCHEMBL7364175

SCHEMBL7364175

CCCCCCNC(=O)c1cc(C#N)ccc1NC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA3 P07451 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA4 P22748 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA5B Q9Y2D0 2/20 0.51
MGLL Q99685 1/20 0.46
TBXA2R P21731 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
NAAA Q02083 1/20 0.44
EPHX1 P07099 8/20 0.43
EPHX2 P34913 2/20 0.43

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
SCHEMBL6939916 0.80 TBXA2R (0.66) CA12CA1CA2CA3CA6
SCHEMBL7367863 0.80 TBXA2R (0.66) CA12CA1CA2CA3CA6
SCHEMBL6945457 0.79 TBXA2R (0.67) CA12CA1CA2CA3CA6
SCHEMBL6946805 0.77 NPC1 (0.47) CA12CA1CA2CA3CA6
SCHEMBL7631740 0.77 MGLL (0.52) MGLLTBXA2RNAAA
SCHEMBL6945540 0.77 YAP1 (0.59) EPHX1
SCHEMBL7367027 0.76 TBXA2R (0.61) CA12CA1CA2CA3CA6
SCHEMBL29617529 0.75 CA2 (0.70) CA12CA1CA2CA3CA6
SCHEMBL15638342 0.75 HCAR3 (0.46) CA12CA1CA2CA3CA6
SCHEMBL15635836 0.74 YAP1 (0.56) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed