SCHEMBL16628604

SCHEMBL16628604

Cc1nc(C2CCCCC2)n2c1c(=O)[nH]c1ccc(OC(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PDE10A Q9Y233 3/20 0.38
PDE5A O76074 5/20 0.38
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
PDE2A O00408 1/20 0.36
PDE6D O43924 1/20 0.36
PDE8A O60658 1/20 0.36
PDE8B O95263 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE4A P27815 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL3591359 0.85 L3MBTL1 (0.43) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL972907 0.81 CSF1R (0.43) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL970128 0.81 OPRM1 (0.46) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL17505337 0.81 PDE9A (0.56) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL3595821 0.81 ALDH1A1 (0.43) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL17505336 0.80 PDE9A (0.55) PDE9APDE5A
SCHEMBL3598763 0.78 PDE9A (0.57) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL11997315 0.77 ALDH1A1 (0.42) PDE9AKMT2APDE7AKDM4EALDH1A1
SCHEMBL3595214 0.76 TLR8 (0.42) PDE9AKMT2AMEN1POLBPDE10A
SCHEMBL3591867 0.75 PDE9A (0.56) PDE9AKMT2AMEN1POLBPDE10A

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-B1 Quinoxaline derivative ASKA PHARM CO LTD (JP) 2015-04-15 EP claimed