SCHEMBL7570056

SCHEMBL7570056

C[C@@H](CCNC(=O)c1ccc2ccccc2n1)CC(=O)N(Cc1ccccc1)C1CCCNCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PKM P14618 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL7562358 0.83 ACKR3 (0.45) OPRM1TMEM97SIGMAR1OPRK1SLC6A2
SCHEMBL4767101 0.77 CTSD (0.37) OPRM1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL7430902 0.70 ALDH1A1 (0.38) SLC6A2SLC6A4ALDH1A1HPGDGAA
SCHEMBL4763259 0.69 CTSD (0.44) SLC6A2SLC6A4ALDH1A1HTTMEN1
SCHEMBL6586781 0.68 HTR1A (0.42) OPRM1TMEM97SIGMAR1OPRK1SLC6A2
SCHEMBL6590690 0.67 CXCR4 (0.32) SLC6A2SLC6A4KMT2A
SCHEMBL4764950 0.67 CYP1A2 (0.36) SLC6A2SLC6A4
SCHEMBL6770905 0.67 GHSR (0.38) SLC6A2SLC6A4ATM
SCHEMBL28157781 0.67 ALDH1A1 (0.65) OPRM1TMEM97SIGMAR1OPRK1ALDH1A1
SCHEMBL6633602 0.67 SLC6A2 (0.40) SLC6A2SLC6A4ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed