SCHEMBL7018946

SCHEMBL7018946

C=C[C@@H]1C[C@H](C(=O)OC(C)(C)C)N(Cc2ccccc2)[C@H]1C(CC(CC)CC)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACE P12821 2/20 0.32
▸ SYK P43405 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ KLK5 Q9Y337 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ OPRK1 P41145 1/20 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
SCHEMBL6693568 1.00 KMT2A (0.39) KMT2AL3MBTL1GPR119MAPTACE
SCHEMBL6697072 0.92 KMT2A (0.39) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6699270 0.91 KMT2A (0.39) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6695450 0.91 KMT2A (0.39) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6697066 0.87 KMT2A (0.41) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6693629 0.87 KMT2A (0.41) KMT2AL3MBTL1GPR119MAPTACE
SCHEMBL6700665 0.87 KMT2A (0.41) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6697044 0.86 KMT2A (0.39) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6787465 0.86 KMT2A (0.39) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6693641 0.86 KMT2A (0.42) KMT2AL3MBTL1GPR119ACESYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 — — EP disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 — — WO disclosed
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