SCHEMBL8205698

SCHEMBL8205698

CC(C)[C@H](Nc1ccccn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ACE P12821 7/20 0.48
▸ ELANE P08246 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ ITGA4 P13612 1/20 0.44

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
SCHEMBL8205696 0.86 MEN1 (0.47) MEN1KMT2AACELTA4HLMNA
SCHEMBL4957308 0.79 ACE (0.45) MEN1KMT2AACELMNA
SCHEMBL4957323 0.79 ACE (0.45) MEN1KMT2AACELMNA
SCHEMBL20485168 0.77 ACE (0.62) MEN1KMT2AACE
SCHEMBL18619558 0.77 ACE (0.62) MEN1KMT2AACE
SCHEMBL8208603 0.76 ELANE (0.56) MEN1KMT2AACEELANE
SCHEMBL10404382 0.75 POLB (0.54) MEN1KMT2AACEELANELTA4H
SCHEMBL8520518 0.75 ELANE (0.44) ELANE
SCHEMBL20484667 0.75 ELANE (0.61) MEN1KMT2AACEELANEITGB3
SCHEMBL13014716 0.75 ELANE (0.47) ELANE

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-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 — — WO disclosed
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