SCHEMBL27740503

SCHEMBL27740503

CC(C)(C)OC(=O)CCc1ccc(OC(N)=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ NR1H2 P55055 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
SCHEMBL3630580 0.82 MTNR1A (0.42) MTNR1AMTNR1BFFAR1FFAR4POLB
SCHEMBL27637897 0.80 EPHX2 (0.40) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL27688160 0.78 MEN1 (0.48) MEN1KMT2AFFAR1FFAR4POLB
SCHEMBL4199804 0.76 MTNR1A (0.42) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL29059884 0.76 CTSS (0.43) MEN1KMT2AALDH1A1
SCHEMBL27585416 0.76 MEN1 (0.46) MEN1KMT2AFFAR1FFAR4KIF11
SCHEMBL27653420 0.75 MEN1 (0.48) MEN1KMT2AFFAR1FFAR4KIF11
SCHEMBL27903191 0.74 MEN1 (0.47) MEN1KMT2AFFAR1FFAR4KIF11
SCHEMBL3694006 0.74 MTNR1A (0.39) MTNR1AMTNR1BHPGDHDAC8MIF
SCHEMBL2395059 0.73 POLB (0.43) MTNR1AMTNR1BPOLB

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-101437796-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 — — CN disclosed
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