SCHEMBL27600849

SCHEMBL27600849

CC1(C)OC[C@@H](CN2c3ccccc3CC(N)C2C=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NAMPT P43490 3/20 0.35
▸ CA2 P00918 2/20 0.34
▸ HTR1A P08908 5/20 0.33
▸ ADRA1B P35368 5/20 0.33
▸ ADRA1A P35348 4/20 0.33
▸ ADRA1D P25100 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AADAT Q8N5Z0 2/20 0.32
▸ GOT1 P17174 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL27600865 1.00 TMEM97 (0.40) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT
SCHEMBL5629206 0.76 AADAT (0.45) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT
SCHEMBL5629328 0.76 AADAT (0.45) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT
SCHEMBL27479625 0.71 MTNR1A (0.40) MEN1LMNAKMT2AAADATGOT1
SCHEMBL27600884 0.71 CACNA1S (0.42) SIGMAR1ALDH1A1NPSR1HTR1AADRA1A
SCHEMBL28752169 0.71 AADAT (0.40) ALDH1A1KMT2AAADATGOT1KYAT1
SCHEMBL27619296 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AAADAT
SCHEMBL13232574 0.68 ALDH1A1 (0.47) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT
SCHEMBL5629787 0.65 AADAT (0.48) LMNAAADATGOT1NOTUMKYAT1
SCHEMBL7434719 0.63 ALDH1A1 (0.52) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384852-C Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2008-04-30 — — CN disclosed
CN-1653070-A Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-08-10 — — CN disclosed
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