SCHEMBL4058080

SCHEMBL4058080

COc1ccc(C2(C#N)CCC(=O)CC2)c2ccn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.45
▸ PDE4B Q07343 5/20 0.45
▸ PDE4C Q08493 5/20 0.45
▸ PDE4D Q08499 5/20 0.45
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDK4 P11802 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL4241625 0.82 PDE4B (0.33) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4241620 0.80 PSEN1 (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4235315 0.77 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL13693694 0.76 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL4230852 0.76 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL13693820 0.74 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2863687 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11825573 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6607682 0.72 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6618935 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT

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-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO claimed
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