SCHEMBL8170666

SCHEMBL8170666

CC(=O)Cl.CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.58
OPRK1 P41145 6/20 0.50
ERAP2 Q6P179 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
OPRM1 P35372 3/20 0.49
CPB2 Q96IY4 2/20 0.48
GHSR Q92847 1/20 0.47
ECE1 P42892 1/20 0.46
CPA1 P15085 1/20 0.46
CPA2 P48052 1/20 0.46
CPA4 Q9UI42 1/20 0.46

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
SCHEMBL2108111 0.96 GNPAT (0.60) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL1711761 0.96 GNPAT (0.60) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL2108121 0.96 GNPAT (0.60) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL1711756 0.96 GNPAT (0.60) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL8170662 0.92 GNPAT (0.53) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL31181294 0.92 GNPAT (0.55) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL31181267 0.92 GNPAT (0.55) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL31181210 0.91 GNPAT (0.54) GNPATOPRK1ERAP2LNPEPOPRM1
SCHEMBL19379743 0.90 ERAP2 (0.57) GNPATOPRK1ERAP2LNPEPCPB2
SCHEMBL19379742 0.90 ERAP2 (0.57) GNPATOPRK1ERAP2LNPEPCPB2

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
US-6136323-A FORMING IMMUNOLOGY RESPONSE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-10-24 US disclosed
US-5237050-A Proteolytic enzyme inhibitor UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1993-08-17 US disclosed