SCHEMBL27757618

SCHEMBL27757618

N#CN=C1SCCN1C(=O)/C=C/CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 18/20 0.48
▸ PDE4D Q08499 10/20 0.44
▸ GPR52 Q9Y2T5 2/20 0.41

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
SCHEMBL27757617 0.70 ALDH1A1 (0.46) PDE4BPDE4D
SCHEMBL25003079 0.68 MEN1 (0.66) PDE4BPDE4D
SCHEMBL27757627 0.68 TRPV1 (0.61) GPR52
SCHEMBL13121716 0.66 GPR52 (0.60) GPR52
SCHEMBL2853640 0.64 GPR52 (0.70) GPR52
SCHEMBL2853636 0.64 GPR52 (0.70) GPR52
SCHEMBL2856224 0.64 GPR52 (0.70) GPR52
SCHEMBL6971328 0.63 GPR52 (0.68) GPR52
SCHEMBL9671269 0.61 GPR52 (0.66) GPR52
SCHEMBL9352721 0.61 GPR52 (0.66) GPR52

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
CN-101423502-A 1-heterocycle-5-phenyl-2amylene-1-ones compounds as well as preparation method and application thereof UNIV CHINA AGRICULTURAL (CN) 2009-05-06 — — CN disclosed
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