SCHEMBL8268948

SCHEMBL8268948

C=C(O)C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.33
▸ OPRM1 P35372 4/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ TEAD1 P28347 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ CCR2 P41597 2/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL13611599 0.91 OPRK1 (0.36) OPRK1OPRM1SIGMAR1GRM5MEN1
SCHEMBL8269819 0.87 SIGMAR1 (0.34) SIGMAR1TEAD1KMT2AALDH1A1KCNH2
SCHEMBL8268962 0.86 MEN1 (0.40) SIGMAR1MEN1KMT2AALDH1A1KCNH2
SCHEMBL8268946 0.81 PSEN1 (0.40) TEAD1CCR2POLB
SCHEMBL13611497 0.80 TEAD1 (0.43) SIGMAR1TEAD1ALDH1A1KCNH2
SCHEMBL13513826 0.80 MAPT (0.38) SIGMAR1ALDH1A1KCNH2SMN1; SMN2
SCHEMBL8268207 0.79 ACHE (0.37) TEAD1MEN1KMT2A
SCHEMBL8268947 0.79 PSEN1 (0.42) TEAD1ALDH1A1SMN1; SMN2
SCHEMBL13611862 0.79 MCHR1 (0.37) SIGMAR1HCRTR1
SCHEMBL13513892 0.78 CHRM4 (0.36) SIGMAR1TEAD1KMT2AALDH1A1POLB

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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