SCHEMBL11101528

SCHEMBL11101528

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.48
▸ OPRM1 P35372 8/20 0.48
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 2/20 0.43
▸ NPY4R P50391 3/20 0.43
▸ NPY1R P25929 2/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ RAMP3 O60896 3/20 0.42
▸ CALCR P30988 3/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 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
SCHEMBL11101521 1.00 OPRK1 (0.48) OPRK1OPRM1NMUR2NMUR1NPY4R
SCHEMBL31481586 0.94 OPRK1 (0.47) OPRK1OPRM1NMUR2NMUR1NPY4R
SCHEMBL30689268 0.91 OPRK1 (0.58) OPRK1OPRM1NMUR2NMUR1NPY4R
SCHEMBL29421084 0.91 OPRM1 (0.52) OPRK1OPRM1NMUR2NMUR1RAMP3
SCHEMBL11644393 0.91 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL9616907 0.91 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL9616909 0.91 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL31070376 0.90 CAPN1 (0.50) OPRK1OPRM1NMUR2NMUR1
SCHEMBL31437168 0.89 RAMP3 (0.47) OPRK1OPRM1NMUR2NMUR1RAMP3
SCHEMBL29813882 0.88 OPRK1 (0.44) OPRK1OPRM1NMUR2NMUR1NPY4R

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-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 — — EP disclosed
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