SCHEMBL13478172

SCHEMBL13478172

CN[C@H](Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC1C=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.54
▸ OPRK1 P41145 9/20 0.54
▸ EPHA2 P29317 2/20 0.50
▸ NPY5R Q15761 3/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ NPY4R P50391 2/20 0.48
▸ NMUR2 Q9GZQ4 4/20 0.48
▸ NMUR1 Q9HB89 4/20 0.48
▸ NPFFR1 Q9GZQ6 1/20 0.46
▸ NPFFR2 Q9Y5X5 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
SCHEMBL13144883 0.93 OPRM1 (0.51) OPRM1OPRK1NMUR2NMUR1NPFFR1
SCHEMBL13144534 0.92 OPRM1 (0.61) OPRM1OPRK1EPHA2
SCHEMBL13144377 0.88 OPRM1 (0.48) OPRM1OPRK1NMUR2NMUR1
SCHEMBL13478161 0.87 OPRM1 (0.48) OPRM1OPRK1NMUR2NMUR1
SCHEMBL13145229 0.85 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1
SCHEMBL13144545 0.85 MC4R (0.55) —
SCHEMBL13478177 0.85 MC4R (0.55) —
SCHEMBL13144631 0.85 MC4R (0.53) —
SCHEMBL13144549 0.82 KISS1R (0.54) OPRM1OPRK1
SCHEMBL13144540 0.82 MC4R (0.53) —

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
US-7659246-B2 Treatment of osteoarthritis PROMICS PTY LIMITED (AU) 2010-02-09 — — US disclosed
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