SCHEMBL26873736

SCHEMBL26873736

CC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(C)O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CHRND Q07001 6/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ IL23R Q5VWK5 8/20 0.46
▸ GRIA1 P42261 3/20 0.45

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
SCHEMBL24324740 0.85 NPY1R (0.55) OPRM1OPRD1OPRK1CHRNDCHRNA1
SCHEMBL13209217 0.83 IL23R (0.61) IL23R
SCHEMBL20715581 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1IL23R
SCHEMBL31243914 0.80 OPRD1 (0.63) OPRM1OPRD1OPRK1
SCHEMBL24307421 0.80 OPRM1 (0.46) OPRM1OPRD1OPRK1GRIA1
SCHEMBL29531748 0.80 OPRD1 (0.53) OPRM1OPRD1OPRK1IL23R
SCHEMBL31243949 0.79 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL13254722 0.79 IL23R (0.54) OPRM1OPRD1OPRK1IL23R
SCHEMBL31243940 0.79 OPRD1 (0.65) OPRM1OPRD1OPRK1
SCHEMBL31243874 0.78 OPRD1 (0.62) OPRM1OPRD1OPRK1

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
WO-2023229458-A1 RADIOISOTOPE LABELED SSTR2-AGONISTS WITH LINKERS ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2023-11-30 — — WO disclosed
EP-4282439-A1 RADIOISOTOPE LABELED SSTR2-AGONISTS WITH LINKERS Erasmus University Rotterdam Medical Center (NL) 2023-11-29 — — EP disclosed
Send feedback