SCHEMBL30255096

SCHEMBL30255096

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ F2 P00734 4/20 0.56
▸ C5AR1 P21730 1/20 0.55
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ MC4R P32245 1/20 0.53
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSH P09668 1/20 0.51
▸ EPHA2 P29317 2/20 0.51
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50

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
SCHEMBL31096802 0.88 C5AR1 (0.53) C5AR1OPRM1OPRD1CTSLCTSS
SCHEMBL20764557 0.88 APLNR (0.58) NMUR2NMUR1C5AR1MC4RCTSL
SCHEMBL29980383 0.87 F2 (0.55) F2OPRM1OPRD1
SCHEMBL29980269 0.87 F2 (0.55) F2OPRM1OPRD1
SCHEMBL30547344 0.86 EPHA2 (0.55) NMUR2NMUR1F2C5AR1CTSL
SCHEMBL29519729 0.86 C5AR1 (0.54) F2C5AR1OPRM1MC4RCTSL
SCHEMBL29638059 0.86 MC4R (0.61) NMUR2NMUR1F2C5AR1MC4R
SCHEMBL29638066 0.86 MC4R (0.61) NMUR2NMUR1F2C5AR1MC4R
SCHEMBL30903266 0.86 C5AR1 (0.61) F2C5AR1MC4RCTSLCTSS
[Val5] - Angiotensin Ii SCHEMBL29551599 0.85 AGTR2 (0.64) F2C5AR1OPRM1OPRD1EPHA2

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
CN-111939244-B Pharmaceutical composition for preventing or treating diabetic complications 阿莫生命科学有限公司 2024-08-06 — — CN disclosed
US-11607445-B2 Pharmaceutical composition for preventing or treating diabetic complications AMOLIFESCIENCE CO., LTD. (KR) 2023-03-21 — — US disclosed
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