SCHEMBL9753043

SCHEMBL9753043

CC(N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.53
▸ OPRM1 P35372 5/20 0.51
▸ OPRD1 P41143 4/20 0.51
▸ OPRK1 P41145 1/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ SORT1 Q99523 1/20 0.47

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
SCHEMBL9753046 1.00 ACE (0.53) ACEOPRM1OPRD1OPRK1NTSR2
SCHEMBL10335585 0.90 OPRM1 (0.56) ACEOPRM1OPRD1NTSR2NTSR1
SCHEMBL31114471 0.87 OPRM1 (0.63) OPRM1OPRD1NTSR2NTSR1SORT1
SCHEMBL29703184 0.87 OPRK1 (0.53) ACEOPRM1OPRD1OPRK1
SCHEMBL29752627 0.86 OPRM1 (0.54) ACEOPRM1OPRD1NTSR2NTSR1
SCHEMBL29630548 0.86 SLC6A2 (0.53) ACEOPRM1OPRD1
SCHEMBL31105568 0.86 CALCRL (0.52) ACEOPRM1OPRD1NTSR2NTSR1
SCHEMBL31064877 0.86 OPRK1 (0.53) ACEOPRM1OPRK1NTSR2NTSR1
SCHEMBL29601271 0.86 OPRM1 (0.54) ACEOPRM1OPRD1OPRK1NTSR2
SCHEMBL29801883 0.85 ACE (0.51) ACEOPRM1OPRK1

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
WO-1991007496-A1 CLONING AND EXPRESSION OF GENES ENCODING FOR POLYPEPTIDES COMPRISED OF ONE OR MORE REPEATING AMINO ACID SEQUENCES ALLIED-SIGNAL INC. (US) 1991-05-30 — — WO disclosed
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