SCHEMBL30001593

SCHEMBL30001593

N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.57
▸ CALCRL Q16602 3/20 0.54
▸ RAMP1 O60894 1/20 0.54
▸ ACE P12821 5/20 0.54
▸ OPRM1 P35372 4/20 0.53
▸ OPRD1 P41143 3/20 0.53
▸ OPRK1 P41145 1/20 0.52
▸ ACE2 Q9BYF1 2/20 0.51
▸ PSMB9 P28065 1/20 0.51

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
SCHEMBL9053553 0.95 SLC6A2 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL9052421 0.95 SLC6A2 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL30289679 0.90 SLC6A2 (0.58) SLC6A2CALCRLRAMP1OPRM1OPRD1
SCHEMBL30630359 0.89 SLC6A2 (0.48) SLC6A2CALCRLRAMP1ACEOPRM1
SCHEMBL29589468 0.87 ACE (0.71) ACEACE2
SCHEMBL30503063 0.86 SLC6A2 (0.53) SLC6A2OPRM1OPRD1
SCHEMBL29579276 0.86 CALCRL (0.52) SLC6A2CALCRLRAMP1OPRM1OPRD1
SCHEMBL31412199 0.86 OPRM1 (0.66) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL30833622 0.86 OPRM1 (0.66) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL29702054 0.86 OPRM1 (0.66) SLC6A2OPRM1OPRD1OPRK1

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
EP-3395373-B1 METHOD FOR LABELLING A BIOLOGICAL TARGETING MOLECULE VIA CONJUGATION WITH A RADIOISOTOPE SUITABLE FOR PET OR SPECT IMAGING GE HEALTHCARE LTD (GB) 2022-10-19 — — EP claimed
EP-3395373-B1 METHOD FOR LABELLING A BIOLOGICAL TARGETING MOLECULE VIA CONJUGATION WITH A RADIOISOTOPE SUITABLE FOR PET OR SPECT IMAGING GE HEALTHCARE LTD (GB) 2022-10-19 — — EP disclosed
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