SCHEMBL29958724

SCHEMBL29958724

CCC(C(N)=O)C1CCc2ccccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.40
PYGM P11217 5/20 0.40
MTNR1A P48039 2/20 0.40
IDO1 P14902 1/20 0.40
PTK2B Q14289 1/20 0.40
DPP4 P27487 1/20 0.38
RIPK1 Q13546 5/20 0.38
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL7543362 0.78 ALDH1A1 (0.43) PYGLPYGMMTNR1ADPP4RIPK1
SCHEMBL2216388 0.77 NPC1 (0.47) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL11118093 0.76 ALDH1A1 (0.43) PYGLPYGMMTNR1ARIPK1
SCHEMBL4826771 0.73 PTK2B (0.47) PYGLPYGMMTNR1APTK2BRIPK1
SCHEMBL2406499 0.71 HTT (0.45) IDO1
SCHEMBL25556417 0.71 NPC1 (0.47) PYGLPYGMMTNR1ANPC1MAPK13
SCHEMBL14614572 0.71 NPC1 (0.47) PYGLPYGMMTNR1ANPC1MAPK13
SCHEMBL7792280 0.69 PYGL (0.58) PYGLPYGMMTNR1ARIPK1
SCHEMBL7516264 0.69 CRBN (0.49)
SCHEMBL4342519 0.69 IDO1 (0.41) PYGLPYGMIDO1DPP4RIPK1

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-2022226116-A1 GHRELIN TREATMENT OF BRAIN DYSFUNCTION DUE TO VIRAL INFECTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2022-10-27 WO disclosed