SCHEMBL8275479

SCHEMBL8275479

Cn1ccnc1[C@H](O)[C@@](C)(O)C(=O)NCC1CCN(c2ccc(F)cc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 3/20 0.39
▸ SKP1 P63208 3/20 0.39
▸ SKP2 Q13309 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ SIRT3 Q9NTG7 2/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ PDE6D O43924 1/20 0.34
▸ HRAS P01112 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL8222406 0.89 CHRM4 (0.43) CKS1BSKP1SKP2GPR6RPS6KB1
SCHEMBL8275982 0.78 NAMPT (0.41) CKS1BSKP1SKP2NPY2R
SCHEMBL8273733 0.77 NAMPT (0.43) HDAC1HDAC2
SCHEMBL8217224 0.73 CHRM4 (0.43) GPR6RPS6KB1
SCHEMBL8273636 0.72 ALDH1A1 (0.39) CKS1BSKP1SKP2ALDH1A1L3MBTL1
SCHEMBL8273638 0.72 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1L3MBTL1
SCHEMBL8273643 0.72 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1L3MBTL1
SCHEMBL8273640 0.71 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1L3MBTL1
SCHEMBL8276134 0.70 ADAM17 (0.37) CKS1BSKP1SKP2ALDH1A1L3MBTL1
SCHEMBL8273641 0.69 RPS6KB1 (0.39) CKS1BSKP1SKP2ALDH1A1L3MBTL1

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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