SCHEMBL8045396

SCHEMBL8045396

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.44
OPRM1 P35372 8/20 0.40
OPRK1 P41145 7/20 0.40
XIAP P98170 1/20 0.39
F2 P00734 1/20 0.39
RAMP3 O60896 6/20 0.38
CALCR P30988 6/20 0.38
CXCR4 P61073 1/20 0.37

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
SCHEMBL8045402 1.00 GRB2 (0.44) GRB2OPRM1OPRK1XIAPF2
SCHEMBL29636207 0.91 GRB2 (0.49) GRB2OPRM1OPRK1XIAPRAMP3
SCHEMBL11763946 0.89 GRB2 (0.51) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL11763927 0.89 GRB2 (0.51) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL1247795 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL21043608 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL194515 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL1247799 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL7263725 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3
SCHEMBL12899263 0.87 OPRM1 (0.48) GRB2OPRM1OPRK1F2RAMP3

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-6110492-A A STABLE OIL-IN-WATER EMULSION HAVING A CONTINUOUS WATER PHASE AND A DISCONTINUOUS OIL PHASE AND CONTAINING, AS SOLE STABILIZING AGENT, A SMECTIC MESOPHASE VESICLES AND THEIR DISINTEGRATED FORMS TO PROVIDE AMPHIPHILE JENNER BIOTHERAPIES, INC. (US) 2000-08-29 US disclosed
WO-1998053799-A9 IMMUNOGENIC COMPOSITIONS JENNER BIOTHERAPIES INC (US) 1999-05-14 WO disclosed
WO-1998053799-A2 IMMUNOGENIC COMPOSITIONS JENNER BIOTHERAPIES, INC. (US) 1998-12-03 WO disclosed