SCHEMBL7360089

SCHEMBL7360089

CC1(C)COC(C(O)C(N)Cc2ccccc2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.41
ANPEP P15144 2/20 0.41
CSNK1E P49674 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC15A1 P46059 1/20 0.37
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALPI P09923 1/20 0.34

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
SCHEMBL6356872 1.00 LAP3 (0.41) LAP3ANPEPCSNK1EMEN1KMT2A
SCHEMBL8059667 0.73 SLC15A1 (0.39) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL6356875 0.73 SLC15A1 (0.39) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL30601948 0.70 ANPEP (0.38) LAP3ANPEPMEN1KMT2ASLC6A2
SCHEMBL23752456 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL6191623 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL6193282 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL8091553 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL2232612 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2
SCHEMBL29941240 0.69 SLC6A2 (0.61) LAP3ANPEPCSNK1ESLC15A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed