SCHEMBL5192869

SCHEMBL5192869

COC(=O)N1CCN(Cc2ccc(OC)c(Cl)c2)C(CC(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.46
OPRM1 P35372 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRD1 P41143 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR3 P51677 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL5191068 0.91 LMNA (0.44) OPRK1OPRM1OPRD1LMNAL3MBTL1
SCHEMBL5278583 0.87 LMNA (0.44) LMNAL3MBTL1CCR3MAPK1EGFR
SCHEMBL5193992 0.86 SMN1; SMN2 (0.48) OPRK1OPRM1TDP1LMNAMEN1
SCHEMBL5190760 0.85 ALDH1A1 (0.49) TDP1MAPK1MEN1KMT2A
SCHEMBL5193163 0.83 SMN1; SMN2 (0.44) LMNAL3MBTL1CCR3MAPK1MEN1
SCHEMBL5207365 0.81 LMNA (0.41) LMNAL3MBTL1CCR3MAPK1MEN1
SCHEMBL5192044 0.81 KDM4E (0.48) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL5190692 0.80 ALDH1A1 (0.48) OPRK1OPRM1OPRD1LMNAL3MBTL1
SCHEMBL5190894 0.78 LMNA (0.53) LMNAL3MBTL1KMT2A
SCHEMBL5190656 0.77 KMT2A (0.53) TDP1L3MBTL1MAPK1MEN1KMT2A

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed