SCHEMBL8205696

SCHEMBL8205696

CC(C)[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ACE P12821 9/20 0.47
▸ REN P00797 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PEPD P12955 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL13014716 0.88 ELANE (0.47) —
SCHEMBL8520518 0.88 ELANE (0.44) —
SCHEMBL8205698 0.86 MEN1 (0.48) MEN1KMT2AACELMNALTA4H
SCHEMBL15765656 0.85 PREP (0.42) ACE2
SCHEMBL13014790 0.83 PREP (0.41) LMNAACE2
SCHEMBL13062430 0.82 MAPT (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL6978337 0.77 DPP4 (0.61) ACERENKDM4EF2LMNA
SCHEMBL17305538 0.77 DPP4 (0.61) ACERENKDM4EF2LMNA
SCHEMBL30534327 0.77 DPP4 (0.61) ACERENKDM4EF2LMNA
SCHEMBL20485168 0.76 ACE (0.62) MEN1KMT2AACEACE2

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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