SCHEMBL4590376

SCHEMBL4590376

CCCCN1CC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.55
PDE1C Q14123 10/20 0.55
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
PDE5A O76074 1/20 0.49

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
SCHEMBL13865919 0.86 PDE9A (0.49) PDE9APDE1C
SCHEMBL4505702 0.84 PDE9A (0.49) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL13865776 0.82 PDE9A (0.58) PDE9APDE1C
SCHEMBL13865764 0.81 PDE9A (0.56) PDE9APDE1C
SCHEMBL6897438 0.81 PDE9A (0.60) PDE9APDE1C
SCHEMBL4510198 0.81 PDE9A (0.56) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL3725138 0.81 PDE9A (0.56) PDE9APDE1C
SCHEMBL13870398 0.80 PDE9A (0.60) PDE9APDE1C
SCHEMBL13865753 0.80 PDE9A (0.57) PDE9APDE1CHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL4511412 0.79 PDE9A (0.59) PDE9APDE1C

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-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed