SCHEMBL31415890

SCHEMBL31415890

CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCN)[C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 9/20 0.45
▸ PSEN1 P49768 3/20 0.41
▸ PSEN2 P49810 3/20 0.41
▸ APH1B Q8WW43 3/20 0.41
▸ NCSTN Q92542 3/20 0.41
▸ APH1A Q96BI3 3/20 0.41
▸ PSENEN Q9NZ42 3/20 0.41
▸ MMP3 P08254 3/20 0.40
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ REN P00797 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL31415886 1.00 CPB2 (0.45) CPB2PSEN1PSEN2APH1BNCSTN
SCHEMBL29775547 0.89 OPRM1 (0.42) CTSDBACE1
SCHEMBL30439738 0.89 OPRM1 (0.42) CTSDBACE1
SCHEMBL30439918 0.89 OPRM1 (0.42) CTSDBACE1
SCHEMBL31415860 0.89 OPRM1 (0.42) CTSDBACE1
SCHEMBL31415887 0.89 OPRM1 (0.42) CTSDBACE1
SCHEMBL34462424 0.87 OPRM1 (0.43) CTSDBACE1OPRK1
SCHEMBL29775556 0.87 OPRM1 (0.43) CTSDBACE1OPRK1
SCHEMBL31343154 0.87 OPRM1 (0.43) CTSDBACE1OPRK1
SCHEMBL29775623 0.87 OPRM1 (0.43) CTSDBACE1OPRK1

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
WO-2025053344-A1 NOVEL POLYMYXIN ANALOGUE EXHIBITING EXCELLENT ANTIBACTERIAL ACTIVITY AGAINST GRAM-NEGATIVE BACTERIA AND MULTIDRUG-RESISTANT GRAM-NEGATIVE BACTERIA, AND ANTIBACTERIAL COMPOSITION COMPRISING SAME 웰펩 주식회사 2025-03-13 — — WO disclosed
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