SCHEMBL17090473

SCHEMBL17090473

COC(=O)c1scc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ PTGER4 P35408 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ NPY5R Q15761 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL13565823 0.85 PTGER4 (0.37) KDM4EPTGER4KMT2ANPY5R
SCHEMBL13203779 0.82 NPY5R (0.46) KDM4EKMT2AMEN1NPY5RALDH1A1
SCHEMBL10133363 0.82 NPY5R (0.46) KDM4EKMT2AMEN1NPY5RALDH1A1
SCHEMBL13438695 0.80 PTGER4 (0.45) KDM4EPTGER4KMT2AMEN1ALDH1A1
SCHEMBL11934825 0.80 PTGER4 (0.45) KDM4EPTGER4KMT2AMEN1ALDH1A1
SCHEMBL13565687 0.74 NPY5R (0.31) NPY5R
SCHEMBL17090330 0.73 KDM4E (0.41) KDM4EKMT2AMEN1NPY5RALDH1A1
SCHEMBL13438912 0.71 ACHE (0.46) NPY5RALDH1A1CNR2MAPT
SCHEMBL11935226 0.71 ACHE (0.46) NPY5RALDH1A1CNR2MAPT
SCHEMBL17090185 0.70 CNR2 (0.38) PTGER4KMT2ANPY5RALDH1A1TDP1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
Send feedback