SCHEMBL11997263

SCHEMBL11997263

CCCC(C)c1ncc2c(=O)[nH]c3ccc(C(=O)O)cc3n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.49
B3GNT2 Q9NY97 2/20 0.46
PDE5A O76074 4/20 0.44
HCAR3 P49019 3/20 0.36
PDE2A O00408 1/20 0.35
PDE6D O43924 1/20 0.35
PDE8A O60658 1/20 0.35
PDE8B O95263 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE7A Q13946 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
SCHEMBL3591900 0.90 PDE9A (0.47) PDE9AB3GNT2PDE5AHCAR3PDE2A
SCHEMBL3590878 0.86 PDE9A (0.49) PDE9AB3GNT2PDE5AHCAR3PDE2A
SCHEMBL3591653 0.78 PDE9A (0.45) PDE9APDE5AALDH1A1KMT2APARP1
SCHEMBL3597406 0.78 PDE9A (0.77) PDE9AB3GNT2PDE5AHCAR3AURKA
SCHEMBL3592193 0.77 PDE9A (0.60) PDE9AB3GNT2PDE5AHCAR3PDE2A
SCHEMBL3593100 0.76 PDE9A (0.45) PDE9APDE5AALDH1A1KMT2APARP1
SCHEMBL3598136 0.74 PDE9A (0.66) PDE9AB3GNT2PDE5APDE2APDE6D
SCHEMBL3593207 0.74 PDE9A (0.46) PDE9APDE5AALDH1A1KMT2APARP1
SCHEMBL3587004 0.74 PDE9A (0.53) PDE9APDE5APDE2APDE6DPDE8A
SCHEMBL3602977 0.73 PDE9A (0.48) PDE9APDE5AKMT2A

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
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed