SCHEMBL8302114

SCHEMBL8302114

CC(=O)C1CCC(N2C(=O)CC(C)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DUSP3 P51452 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL16369102 0.77 ALDH1A1 (0.50) KMT2AALDH1A1OPRM1OPRK1OPRL1
SCHEMBL12013341 0.74 HTT (0.34) ALDH1A1
SCHEMBL20180680 0.74 HTT (0.34) ALDH1A1
SCHEMBL20180664 0.74 HTT (0.34) ALDH1A1
SCHEMBL20180516 0.74 HTT (0.34) ALDH1A1
SCHEMBL23369279 0.74 HTT (0.34) ALDH1A1
SCHEMBL19533069 0.74 HTT (0.34) ALDH1A1
SCHEMBL26755735 0.74 ACHE (0.32) ALDH1A1HPGDMAPT
SCHEMBL11252552 0.74 ALDH1A1 (0.35) ALDH1A1OPRM1OPRK1OPRL1MCOLN3
SCHEMBL14528262 0.72 KMT2A (0.38) MEN1KMT2ADUSP3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097249-A2 COMPOSITIONS AND METHODS FOR DNA BINDING AND TRANSCRIPTIONAL REGULATION THE UNIVERSITY OF CHICAGO (US) 2023-06-01 WO disclosed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed