SCHEMBL8779223

SCHEMBL8779223

CC(C)CCOc1ccnc(OC(=O)NC(=O)[C@@H](N)CC(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.39
CIT O14578 6/20 0.38
HTT P42858 1/20 0.37
LARS1 Q9P2J5 2/20 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
SCHEMBL8779278 0.90 HTT (0.39) HTT
SCHEMBL8779220 0.90 AAK1 (0.40) AAK1CITLARS1
SCHEMBL8779208 0.88 HTT (0.38) CITHTT
SCHEMBL8779334 0.88 LNPEP (0.42) AAK1CITLARS1
SCHEMBL8785444 0.86 HTT (0.43) AAK1CITHTTLARS1
SCHEMBL8779387 0.85 AAK1 (0.38) AAK1CITLARS1
SCHEMBL8779239 0.85 LNPEP (0.40) AAK1
SCHEMBL8779253 0.84 HTT (0.39) HTT
SCHEMBL8883790 0.83 AAK1 (0.39) AAK1CITHTTLARS1
SCHEMBL8779229 0.82 IRAK4 (0.40) AAK1

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