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Sugi Predict / Compounds / SCHEMBL877432

SCHEMBL877432

SCHEMBL877432

CC(C)C[C@H]1CN(c2ccc(OC(F)F)c(OCC3CC3)c2)CCN1C(=O)CC(N)=O.Cc1nc(CC(=O)N2CCN(c3ccc(OC(F)F)c(OC4CCCC4)c3)C[C@@H]2CC(C)C)n[nH]1.Cc1nc(CC(=O)N2CCN(c3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2CC(C)C)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.39
▸ PDE4D Q08499 6/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE1C Q14123 7/20 0.36
▸ ACACB O00763 5/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ PDE8A O60658 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL877433 1.00 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CPDE1C
SCHEMBL2137400 0.93 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE1C
SCHEMBL683367 0.93 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE1C
SCHEMBL681944 0.91 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL878473 0.91 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL682752 0.86 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL2136806 0.86 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL683038 0.86 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE1C
SCHEMBL2138568 0.86 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE1C
SCHEMBL681947 0.86 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 — — EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 — — WO claimed