SCHEMBL8779239

SCHEMBL8779239

CC(C)C[C@H](N)C(=O)NC(=O)Oc1nccc(OCCC2CCCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 13/20 0.40
AAK1 Q2M2I8 5/20 0.37
PPARG P37231 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL8779229 0.91 IRAK4 (0.40) LNPEPAAK1
SCHEMBL8779243 0.91 PPARG (0.38) LNPEPPPARGKITPDGFRA
SCHEMBL8779418 0.89 PPARG (0.36) LNPEPPPARGKITPDGFRA
SCHEMBL8779100 0.86 LNPEP (0.42) LNPEPAAK1
SCHEMBL8882315 0.85 LNPEP (0.41) LNPEPAAK1PPARG
SCHEMBL8779223 0.85 AAK1 (0.39) AAK1
SCHEMBL8779220 0.83 AAK1 (0.40) LNPEPAAK1
SCHEMBL8779390 0.82 NFE2L2 (0.38) LNPEPPPARGKITPDGFRA
SCHEMBL8779334 0.81 LNPEP (0.42) LNPEPAAK1
SCHEMBL8779428 0.81 IRAK4 (0.43)

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
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed