SCHEMBL7949048

SCHEMBL7949048

N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
NRP1 O14786 2/20 0.45
OPRM1 P35372 7/20 0.44
OPRK1 P41145 6/20 0.43
ACE P12821 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TACR1 P25103 1/20 0.42
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NTSR2 O95665 2/20 0.41
NTSR1 P30989 2/20 0.41
SORT1 Q99523 2/20 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
SCHEMBL31220452 0.96 F2 (0.49) F2NRP1OPRM1OPRK1ACE
SCHEMBL8579708 0.94 F2 (0.51) F2NRP1OPRM1OPRK1ACE
SCHEMBL34464604 0.94 F2 (0.51) F2NRP1OPRM1OPRK1ACE
SCHEMBL7164824 0.94 F2 (0.51) F2NRP1OPRM1OPRK1ACE
SCHEMBL7164816 0.94 F2 (0.51) F2NRP1OPRM1OPRK1ACE
SCHEMBL30855542 0.94 NRP1 (0.49) F2NRP1OPRM1OPRK1NTSR2
SCHEMBL31399622 0.94 NRP1 (0.49) F2NRP1OPRM1OPRK1NTSR2
SCHEMBL30997452 0.93 NRP1 (0.43) F2NRP1OPRM1NTSR2NTSR1
SCHEMBL1163560 0.91 F2 (0.44) F2NRP1OPRM1NTSR2NTSR1
SCHEMBL1163558 0.91 F2 (0.44) F2NRP1OPRM1NTSR2NTSR1

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-1068295-A1 CELL DIFFERENTIATION/PROLIFERATION AND MAINTENANCE FACTOR AND USES THEREOF BresaGen Limited (AU) 2001-01-17 EP disclosed
WO-1999053021-A1 CELL DIFFERENTIATION/PROLIFERATION AND MAINTENANCE FACTOR AND USES THEREOF BRESAGEN LIMITED (AU) 1999-10-21 WO disclosed