SCHEMBL22907071

SCHEMBL22907071

Cc1cc(N)cc(F)c1N1CCC(CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ FFAR4 Q5NUL3 12/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL27098837 0.90 FFAR4 (0.41) ALOX5APFEN1FFAR4ACHE
SCHEMBL22907074 0.84 TYMP (0.38) FFAR4ACHEAKR1C3
SCHEMBL25031021 0.78 FFAR4 (0.40) FFAR4
SCHEMBL20648809 0.76 WEE1 (0.38) ALOX5APFEN1
SCHEMBL29776131 0.76 WEE1 (0.38) ALOX5APFEN1
SCHEMBL27098835 0.76 TYMP (0.42) FFAR4ACHE
SCHEMBL25194061 0.75 FFAR4 (0.39) FFAR4
SCHEMBL28995474 0.74 FFAR4 (0.56) FFAR4
SCHEMBL20648918 0.73 MAPT (0.47) —
SCHEMBL29506613 0.73 MAPT (0.47) —

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
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