SCHEMBL7207928

SCHEMBL7207928

CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]([C]=O)CCCNC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.51
OPRK1 P41145 8/20 0.51
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
ACE P12821 1/20 0.47
XIAP P98170 2/20 0.46
ACE2 Q9BYF1 1/20 0.46
EPHA2 P29317 1/20 0.45

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
SCHEMBL9280512 0.93 XIAP (0.48) OPRM1OPRK1F2PRSS1XIAP
SCHEMBL2192304 0.90 OPRM1 (0.49) OPRM1OPRK1F2
SCHEMBL7418654 0.90 OPRM1 (0.49) OPRM1OPRK1F2
SCHEMBL5597616 0.90 OPRM1 (0.49) OPRM1OPRK1F2
SCHEMBL5597620 0.90 OPRM1 (0.49) OPRM1OPRK1F2
SCHEMBL11013694 0.90 F2 (0.60) F2PRSS1ACE
SCHEMBL11013687 0.90 F2 (0.60) F2PRSS1ACE
SCHEMBL2193283 0.90 OPRM1 (0.48) OPRM1OPRK1
SCHEMBL8258695 0.87 F2 (0.53) OPRM1OPRK1F2PRSS1ACE
SCHEMBL2182404 0.87 F2 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610270-B1 Determining the rate of substrate-product conversion for gateway enzymes important to therapy management, using labelled metaprobes XANTHUS LIFE SCIENCES, INC. 2003-08-26 US disclosed
EP-1089765-A2 $i(IN VIVO) DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT Phenome Sciences Inc. (US) 2001-04-11 EP disclosed
WO-2000000636-A2 IN VIVO DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT PHENOME SCIENCES INC. (US) 2000-01-06 WO disclosed