SCHEMBL27817836

SCHEMBL27817836

CC(=O)Oc1nc(C2CC2)sc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ HCRTR1 O43613 3/20 0.41
▸ HCRTR2 O43614 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ACHE P22303 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 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
SCHEMBL27824038 0.88 ALOX5 (0.49) ALOX5HCRTR1HCRTR2LMNAKDM4E
SCHEMBL27824189 0.87 ALOX5 (0.64) ALOX5HCRTR1HCRTR2KDM4EMAPT
SCHEMBL27803408 0.85 ALOX5 (0.47) ALOX5HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL27824196 0.84 SLC6A3 (0.44) ALOX5HCRTR1HCRTR2MAPTSLC6A3
SCHEMBL27817791 0.80 ALOX5 (0.37) ALOX5HCRTR1HCRTR2KDM4EHPGD
SCHEMBL27824198 0.80 ALOX5 (0.43) ALOX5HCRTR1HCRTR2LMNAMAPT
SCHEMBL27803414 0.80 ALOX5 (0.54) ALOX5MAPK14KDM4EHPGDPTGS1
SCHEMBL28786380 0.80 ALOX5 (0.54) ALOX5HCRTR1HCRTR2MAPK14PTGS1
SCHEMBL27803545 0.79 ALOX5 (0.52) ALOX5LMNAMAPK14KDM4EMAPT
SCHEMBL27818021 0.78 ALOX5 (0.44) ALOX5MAPTHPGDALDH1A1

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-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 — — CN disclosed
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