SCHEMBL31548693

SCHEMBL31548693

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ AGTR1 P30556 1/20 0.56
▸ AGTR2 P50052 1/20 0.56
▸ BACE1 P56817 3/20 0.55
▸ CXCL8 P10145 9/20 0.55
▸ REN P00797 1/20 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
SCHEMBL31548690 0.94 CALCRL (0.58) CALCRLSLC6A2AGTR1AGTR2BACE1
SCHEMBL30810418 0.90 SLC6A2 (0.63) CALCRLSLC6A2AGTR1AGTR2REN
SCHEMBL29809975 0.90 CALCR (0.59) —
SCHEMBL31005072 0.88 OPRD1 (0.60) —
SCHEMBL29482771 0.87 SLC6A2 (0.57) CALCRLSLC6A2AGTR1AGTR2REN
SCHEMBL29788968 0.86 NMUR2 (0.60) SLC6A2CXCL8
SCHEMBL13130786 0.86 EPHA2 (0.59) CALCRLSLC6A2CXCL8
SCHEMBL29416554 0.85 SLC6A2 (0.64) SLC6A2REN
SCHEMBL31005057 0.85 NPY2R (0.59) AGTR1AGTR2
SCHEMBL31362658 0.85 AGTR1 (0.55) SLC6A2AGTR1AGTR2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119799425-A Efficient biological enzyme detergent and preparation method and application thereof 北京洗得宝消毒制品有限公司 2025-04-11 — — CN disclosed
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