SCHEMBL23489658

SCHEMBL23489658

CC(C)N[C@@H](CCCNC(=N)N)CC(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY4R P50391 4/20 0.31
NPY1R P25929 3/20 0.31
NPY2R P49146 3/20 0.31
NPY5R Q15761 3/20 0.31

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
SCHEMBL13254058 1.00 ITGB3 (0.34) ITGB3ITGA2BALOX15MEN1CYP1A2
SCHEMBL24932573 0.91 CHRNB2 (0.30)
SCHEMBL23988965 0.80 NPY4R (0.36) ITGB3ITGA2BALOX15MEN1CYP1A2
SCHEMBL24529722 0.80 MEN1 (0.36) ITGB3ITGA2BALOX15MEN1CYP1A2
SCHEMBL20104610 0.80 MEN1 (0.36) ITGB3ITGA2BALOX15MEN1CYP1A2
SCHEMBL26894997 0.79 ALOX15 (0.31) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20104600 0.78 MEN1 (0.35) ITGB3ITGA2BALOX15MEN1CYP1A2
SCHEMBL13254057 0.78 CPB2 (0.35)
SCHEMBL21941031 0.77 MEN1 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL19729232 0.77 ALDH1A1 (0.32) SMN1; SMN2

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-2021113524-A2 GLP2 RECEPTOR AGONISTS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-10 WO disclosed