SCHEMBL13513832

SCHEMBL13513832

CC1=CCC([C@H]2C[C@@H](CCC(=O)O)CCN2Cc2cc(C)ccc2C(F)(F)F)C=C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.32
▸ FFAR1 O14842 9/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ATM Q13315 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGES O14684 1/20 0.30

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
SCHEMBL8268669 0.89 MEN1 (0.36) CHRM4KDM4ENPSR1MEN1KMT2A
SCHEMBL13611438 0.85 FFAR1 (0.39) FFAR1KMT2AFFAR4
SCHEMBL13611501 0.78 FFAR1 (0.37) FFAR1KMT2A
SCHEMBL13513796 0.78 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL13611496 0.77 FFAR4 (0.36) MEN1KMT2AFFAR4ALDH1A1
SCHEMBL13611611 0.77 FFAR4 (0.42) FFAR1FFAR4
SCHEMBL8268235 0.77 FFAR4 (0.42) FFAR1FFAR4
SCHEMBL8269829 0.75 FFAR4 (0.34) FFAR1FFAR4
SCHEMBL8268956 0.75 GPBAR1 (0.38) FFAR4
SCHEMBL8268228 0.74 FFAR4 (0.39) FFAR1FFAR4

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-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
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