SCHEMBL30679613

SCHEMBL30679613

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ KISS1R Q969F8 5/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ DPP3 Q9NY33 3/20 0.49
▸ CCKAR P32238 1/20 0.48
▸ CCKBR P32239 1/20 0.48
▸ CXCL8 P10145 2/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ PCSK9 Q8NBP7 1/20 0.47

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
SCHEMBL3859567 0.88 KISS1R (0.58) CAPN1CTSBKISS1RDPP3
SCHEMBL3859570 0.88 KISS1R (0.58) CAPN1CTSBKISS1RDPP3
SCHEMBL30679614 0.87 CAPN1 (0.55) CAPN1CTSBKISS1RNTSR2NTSR1
SCHEMBL29435827 0.85 KISS1R (0.56) CAPN1CTSBKISS1RNTSR2NTSR1
SCHEMBL30478003 0.84 DPP3 (0.52) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL29380301 0.82 CAPN1 (0.58) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30436566 0.82 NTSR2 (0.60) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL29557726 0.82 BCHE (0.55) DPP3CCKARCCKBR
SCHEMBL3858206 0.81 DPP3 (0.56) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL3858200 0.81 DPP3 (0.56) CAPN1CTSBNTSR2NTSR1SORT1

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-117430667-B Preparation method of momordica grosvenori tea particles for activating blood and eliminating turbid 恒拓集团南宁仁盛制药有限公司 2024-09-20 — — CN disclosed
CN-117430667-B Preparation method of momordica grosvenori tea particles for activating blood and eliminating turbid 恒拓集团南宁仁盛制药有限公司 2024-09-20 — — CN disclosed
CN-117430667-A Preparation method of momordica grosvenori tea particles for activating blood and eliminating turbid 恒拓集团南宁仁盛制药有限公司 2024-01-23 — — CN disclosed
CN-117430667-A Preparation method of momordica grosvenori tea particles for activating blood and eliminating turbid 恒拓集团南宁仁盛制药有限公司 2024-01-23 — — CN disclosed
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