SCHEMBL8377689

SCHEMBL8377689

CC(Nc1ccccc1)C(=O)N1CCCC1C(=O)N[C@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.47
OPRM1 P35372 7/20 0.45
OPRK1 P41145 7/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
EPHA2 P29317 2/20 0.45
NMUR2 Q9GZQ4 2/20 0.43
NMUR1 Q9HB89 2/20 0.43
GRB2 P62993 1/20 0.42
FKBP1A P62942 1/20 0.42
XIAP P98170 2/20 0.42
F2 P00734 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
SCHEMBL8950750 0.96 ACE (0.43) ACEOPRM1OPRK1MMP1MMP3
SCHEMBL21068023 0.93 OPRM1 (0.44) ACEOPRM1OPRK1MMP1MMP3
SCHEMBL6924797 0.88 F2 (0.48) ACEOPRM1OPRK1EPHA2FKBP1A
SCHEMBL7270558 0.85 ACE (0.47) ACEOPRM1OPRK1MMP1MMP3
SCHEMBL8837276 0.85 F2 (0.49) ACEOPRM1OPRK1EPHA2NMUR2
SCHEMBL29391363 0.85 GRB2 (0.55) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL30416412 0.84 GRB2 (0.47) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL6850160 0.83 F2 (0.57) OPRM1OPRK1F2
SCHEMBL6497247 0.83 F2 (0.57) OPRM1OPRK1F2
SCHEMBL2119635 0.83 F2 (0.57) OPRM1OPRK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664786-B1 ARGININE KETO-AMIDE ENZYME INHIBITORS CORVAS INT INC (US) 1999-03-24 EP disclosed