SCHEMBL8205946

SCHEMBL8205946

C[C@H](NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.50
CMA1 P23946 5/20 0.49
SLC6A2 P23975 1/20 0.48
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DPP3 Q9NY33 1/20 0.45
XIAP P98170 2/20 0.44
PSMB9 P28065 1/20 0.44

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
SCHEMBL7641458 0.91 XIAP (0.44) ACECMA1OPRM1XIAPPSMB9
SCHEMBL5062693 0.90 TACR1 (0.43) ACECMA1SLC6A2OPRM1XIAP
SCHEMBL366333 0.86 TACR1 (0.51) CMA1PSMB9
SCHEMBL7624015 0.86 CMA1 (0.42) ACECMA1XIAP
SCHEMBL6885771 0.85 TACR1 (0.44) CMA1OPRM1XIAP
SCHEMBL9011376 0.84 OPRM1 (0.43) SLC6A2OPRM1
SCHEMBL5063463 0.83 OPRM1 (0.45) OPRM1XIAPPSMB9
SCHEMBL615204 0.82 TDP1 (0.41) OPRM1ALDH1A1PSMB9
SCHEMBL847832 0.82 CMA1 (0.49) ACECMA1SLC6A2OPRM1XIAP
SCHEMBL1800549 0.81 ACE (0.42) ACEHSD17B10

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
WO-2000038708-A9 TREATMENT AND PREVENTION OF IMMUNE REJECTION REACTIONS PHAIRSON MEDICAL INC (US) 2000-12-07 WO disclosed
WO-2000038708-A1 TREATMENT AND PREVENTION OF IMMUNE REJECTION REACTIONS PHAIRSON MEDICAL INC. (GB) 2000-07-06 WO disclosed