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SCHEMBL3240498

SCHEMBL3240498

COc1ccc(-c2cnc(=O)n(Cc3nc4ccccc4o3)c2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.48
▸ PDE4D Q08499 9/20 0.48
▸ PDE4B Q07343 8/20 0.48
▸ PDE4C Q08493 8/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ NPC1 O15118 1/20 0.41
▸ CXCR6 O00574 1/20 0.40
▸ GAK O14976 1/20 0.40

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
SCHEMBL3239593 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3234484 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3235589 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3239572 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3232546 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3234842 0.90 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3238900 0.89 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3240578 0.88 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3265120 0.87 PDE4A (0.44) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL3236793 0.87 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C

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-2010029299-A1 PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2010-03-18 — — WO disclosed