SCHEMBL9989172

SCHEMBL9989172

CC(N)c1ccc(OC2CCCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ AKT1 P31749 3/20 0.42
▸ RPS6KA1 Q15418 3/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ PDE4A P27815 9/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ CSNK2A1 P68400 2/20 0.39

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
SCHEMBL12094255 0.88 APP (0.43) APPPDE4APTGS1PTGS2PDE4D
Hydrochloric Acid SCHEMBL22723238 0.87 APP (0.42) APPPDE4APTGS1PTGS2PDE4D
Hydrochloric Acid SCHEMBL22723239 0.87 APP (0.42) APPPDE4APTGS1PTGS2PDE4D
SCHEMBL14168853 0.83 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL8285881 0.82 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL14168917 0.82 HIF1A (0.42) APPPDE4APDE4DPDE4BPDE4C
SCHEMBL7317892 0.82 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL14268228 0.81 ACACB (0.39) APPPDE4A
SCHEMBL13419191 0.78 SYK (0.47) PDE4APDE4DPDE4BPDE4CCSNK2A1
SCHEMBL622131 0.78 CSNK2A1 (0.43) PDE4APTGS1PTGS2PDE4DPDE4B

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
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP disclosed
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