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SCHEMBL31514352

SCHEMBL31514352

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BECN1 Q14457 3/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY2R P49146 2/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ KDM1A O60341 1/20 0.52
▸ TFPI P10646 1/20 0.52
▸ F2 P00734 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
SCHEMBL29461464 0.86 KEAP1 (0.62) MAPK8MAPK9MAPK10KEAP1
SCHEMBL30432351 0.86 CALCR (0.53) MAPK8MAPK9MAPK10KEAP1
SCHEMBL30512737 0.86 KDM1A (0.48) BECN1KEAP1KDM1ATFPIF2
SCHEMBL31182880 0.86 CALCR (0.67) MAPK8MAPK9MAPK10HCRTR1HCRTR2
SCHEMBL30567445 0.85 TFPI (0.61) TFPI
SCHEMBL30974383 0.84 TFPI (0.55) KDM1ATFPI
SCHEMBL30387150 0.84 VIPR2 (0.62) TFPI
SCHEMBL30432868 0.84 KEAP1 (0.59) BECN1MAPK8MAPK9MAPK10KEAP1
SCHEMBL31688326 0.84 KDM1A (0.58) MAPK8MAPK9MAPK10KDM1ATFPI
SCHEMBL30262063 0.84 VIPR2 (0.54) NPY1RNPY2RNPY4RNPY5RKDM1A

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-119776332-A Enzymatic preparation process of histamine dihydrochloride 上海瀚鸿科技股份有限公司 2025-04-08 — — CN disclosed
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