SCHEMBL7758685

SCHEMBL7758685

NCCN(CCC(=O)O)C(=O)Cn1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HPRT1 P00492 4/20 0.32
▸ PNP P00491 1/20 0.30

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
SCHEMBL5104179 0.92 HPRT1 (0.35) HPRT1
SCHEMBL7758704 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL5048171 0.81 PNP (0.39) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL8343186 0.76 HPRT1 (0.31) PDE4APDE4BPDE4CPDE4DHPRT1
SCHEMBL6265333 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL8594393 0.75 CYP2C19 (0.30) —
SCHEMBL8343189 0.74 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DHPRT1
SCHEMBL6265529 0.74 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6267419 0.73 PNP (0.40) PNP
SCHEMBL6268075 0.72 ADORA2A (0.34) PDE4APDE4BPDE4CPDE4DPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815259-B1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS PNA DIAGNOSTICS AS (DK) 2001-05-23 — — EP disclosed
EP-0815259-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS Roche Diagnostics GmbH (DE) 1998-01-07 — — EP disclosed
EP-0813610-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 1997-12-29 — — EP disclosed
WO-1996027680-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
WO-1996027679-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
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