SCHEMBL8269819

SCHEMBL8269819

C=C(O)C[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ CHRM4 P08173 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TEAD1 P28347 2/20 0.32
▸ SPHK2 Q9NRA0 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL13513892 0.91 CHRM4 (0.36) SIGMAR1TMEM97CHRM4ALDH1A1KMT2A
SCHEMBL8268948 0.87 OPRK1 (0.33) SIGMAR1KCNH2ALDH1A1KMT2ATEAD1
SCHEMBL8268962 0.85 MEN1 (0.40) SIGMAR1CHRM4KCNH2ALDH1A1KMT2A
SCHEMBL8268207 0.85 ACHE (0.37) CHRM4KMT2ATEAD1LMNA
SCHEMBL8269820 0.83 FFAR4 (0.38) SIGMAR1CHRM4KMT2A
SCHEMBL13611497 0.81 TEAD1 (0.43) SIGMAR1CHRM4KCNH2ALDH1A1TEAD1
SCHEMBL8268946 0.81 PSEN1 (0.40) TEAD1POLB
SCHEMBL13611493 0.81 NR1H2 (0.41) —
SCHEMBL13611862 0.80 MCHR1 (0.37) SIGMAR1
SCHEMBL8269821 0.79 TEAD1 (0.37) ALDH1A1KMT2ATEAD1

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-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 — — WO disclosed
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