SCHEMBL21782586

SCHEMBL21782586

COC(=O)C(C)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.40
▸ NPY1R P25929 5/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPY2R P49146 3/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32

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
SCHEMBL17793248 0.84 ALOX15 (0.40) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL8297085 0.84 ALOX15 (0.40) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL13402408 0.84 ALOX15 (0.40) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL21782578 0.84 NPY4R (0.49) NPY4RNPY1RTSHRNPY2RNPY5R
SCHEMBL25658168 0.83 NPY4R (0.39) NPY4RNPY1RTSHRALOX15MEN1
SCHEMBL2172217 0.83 NPY4R (0.45) NPY4RNPY1RTSHRALOX15MEN1
SCHEMBL157856 0.83 NPY4R (0.45) NPY4RNPY1RTSHRALOX15MEN1
SCHEMBL42488 0.83 NPY4R (0.45) NPY4RNPY1RTSHRALOX15MEN1
SCHEMBL16250509 0.82 ALOX15 (0.39) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL19861967 0.82 GABRR1 (0.45) NPY4RNPY1RALOX15MEN1KMT2A

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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