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Sugi Predict / Compounds / SCHEMBL8315913

SCHEMBL8315913

SCHEMBL8315913

CSc1cccc(Oc2ncc(F)cc2C(=O)C[C@H]2CC[C@@H](NC(=O)CCCCCl)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 16/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL5840574 0.91 PDE4B (0.49) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5841979 0.91 PDE4B (0.49) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5840576 0.91 PDE4B (0.49) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5776945 0.85 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5776940 0.85 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5844771 0.83 PDE4B (0.50) PDE4BPDE4APDE4D
SCHEMBL5844767 0.83 PDE4B (0.50) PDE4BPDE4APDE4D
SCHEMBL8314996 0.83 PTGER4 (0.39) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL5840369 0.81 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5840361 0.81 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4

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-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — WO disclosed