SCHEMBL13972705

SCHEMBL13972705

CC(C)(C)SNCCCCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ MTNR1A P48039 4/20 0.69
▸ AANAT Q16613 1/20 0.58
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ UBE2N P61088 1/20 0.56
▸ GFER P55789 1/20 0.54
▸ MTNR1B P49286 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ MMP9 P14780 1/20 0.52
▸ NPC1 O15118 1/20 0.52

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
SCHEMBL29926356 0.83 MTNR1A (0.98) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL10113581 0.82 MEN1 (0.68) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL3806536 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1726070 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1727281 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1726502 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1725354 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1066221 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL22411433 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA
SCHEMBL1063483 0.82 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATLMNA

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP disclosed
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