SCHEMBL3362875

SCHEMBL3362875

Cc1[nH]c(Cc2cccc(Cl)c2)nc1-c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
PDE9A O76083 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
NPY5R Q15761 1/20 0.43
ALKBH3 Q96Q83 1/20 0.40
PRNP P04156 2/20 0.39
CCR2 P41597 1/20 0.39
TGFBR1 P36897 3/20 0.39
TGFBR2 P37173 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK14 Q16539 1/20 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
SCHEMBL31305426 0.90 NPY5R (0.48) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL26113642 0.90 NPY5R (0.48) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL28807045 0.90 IKBKB (0.41) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL3360201 0.87 MAPT (0.44) NPY5RALKBH3PRNPADORA2AADORA1
SCHEMBL2867223 0.87 CCR2 (0.46) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL3359090 0.87 GAA (0.43) ADORA2AADORA1MAPK14
SCHEMBL31305597 0.86 NPY5R (0.43) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL2865690 0.86 NPY5R (0.43) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL27915197 0.85 ADORA2A (0.43) ALKBH3TGFBR1ADORA2AADORA1
SCHEMBL26111108 0.85 PTGDR2 (0.48) NPY5RALKBH3PRNPADORA2AADORA1

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-2010024421-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed