SCHEMBL29496464

SCHEMBL29496464

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.59
▸ IL23R Q5VWK5 1/20 0.57
▸ NMUR2 Q9GZQ4 4/20 0.56
▸ NMUR1 Q9HB89 4/20 0.56
▸ MC4R P32245 2/20 0.55
▸ MC5R P33032 2/20 0.55
▸ MC3R P41968 2/20 0.55
▸ MC1R Q01726 2/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ EPHA2 P29317 2/20 0.54
▸ TFPI P10646 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54

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
SCHEMBL29678292 0.95 KEAP1 (0.58) KEAP1IL23RNMUR2NMUR1EPHA2
SCHEMBL29627571 0.94 KEAP1 (0.59) KEAP1IL23RNMUR2NMUR1RAMP3
SCHEMBL30061928 0.93 IL23R (0.61) KEAP1IL23RNMUR2NMUR1RAMP3
SCHEMBL29730557 0.92 SLC6A2 (0.59) KEAP1IL23RNMUR2NMUR1OPRM1
SCHEMBL30558096 0.91 SLC6A2 (0.60) IL23RNMUR2NMUR1EPHA2OPRM1
SCHEMBL29678305 0.91 IL23R (0.59) KEAP1IL23RNMUR2NMUR1MC4R
SCHEMBL31119607 0.89 IL23R (0.54) KEAP1IL23RNMUR2NMUR1RAMP3
SCHEMBL30558098 0.89 SLC6A2 (0.67) OPRM1OPRD1SLC6A2
SCHEMBL31622475 0.88 C5AR1 (0.67) KEAP1MC4RMC5RMC3RMC1R
SCHEMBL31119609 0.87 APLNR (0.55) KEAP1IL23RNMUR2NMUR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110339369-B Improved process for preparing physiologically active polypeptide complexes 韩美科学株式会社 2024-01-23 — — CN disclosed
EP-4178440-A1 KITS AND METHODS FOR MEASURING INSULIN SENSATIVITY Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2023-05-17 — — EP disclosed
WO-2022173807-A2 CONFORMATIONALLY CONSTRAINED GLUCAGON ANALOGUES AND THEIR USE IN GLUCAGON-SINGLE CHAIN INSULIN FUSION PROTEINS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-08-18 — — WO disclosed
EP-3969467-A2 VARIANT SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-03-23 — — EP disclosed
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