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SCHEMBL30634740

SCHEMBL30634740

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.65
▸ NMUR1 Q9HB89 5/20 0.65
▸ OPRM1 P35372 7/20 0.59
▸ OPRD1 P41143 2/20 0.59
▸ EPHA2 P29317 2/20 0.59
▸ NTSR2 O95665 2/20 0.57
▸ NTSR1 P30989 2/20 0.57
▸ SORT1 Q99523 1/20 0.57
▸ OPRK1 P41145 5/20 0.55
▸ NPY4R P50391 3/20 0.55
▸ NPY1R P25929 2/20 0.55
▸ NPY2R P49146 2/20 0.55
▸ NPY5R Q15761 2/20 0.55

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
SCHEMBL30402818 0.92 NMUR2 (0.66) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29496917 0.90 SLC6A2 (0.57) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29496918 0.90 SLC6A2 (0.57) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29554996 0.89 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29493537 0.89 NTSR1 (0.70) NMUR2NMUR1OPRM1OPRD1NTSR2
SCHEMBL31307275 0.89 RAMP3 (0.62) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL29886800 0.88 NTSR2 (0.67) OPRM1NTSR2NTSR1SORT1OPRK1
SCHEMBL31187483 0.88 NMUR2 (0.63) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL30458665 0.88 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1NTSR2
SCHEMBL30564574 0.87 NMUR2 (0.61) NMUR2NMUR1EPHA2NTSR2NTSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12013392-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2024-06-18 — — US disclosed
US-20240069013-A1 GLOBAL PROTEOMIC SCREENING OF RANDOM BEAD ARRAYS USING MASS SPECTROMETRY IMAGING AMBERGEN, INC. 2024-02-29 — — US disclosed
US-11846634-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2023-12-19 — — US disclosed