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SCHEMBL30354441

SCHEMBL30354441

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.51
▸ NMUR2 Q9GZQ4 4/20 0.50
▸ NMUR1 Q9HB89 4/20 0.50
▸ QRFPR Q96P65 1/20 0.47
▸ PTH1R Q03431 1/20 0.47
▸ VIPR1 P32241 1/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ MUS81 Q96NY9 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
SCHEMBL31013873 1.00 TFPI (0.51) TFPINMUR2NMUR1QRFPRPTH1R
SCHEMBL30097927 0.93 TFPI (0.57) TFPIPTH1RVIPR1ECE1GLP1R
SCHEMBL30354438 0.89 TFPI (0.49) TFPINMUR2NMUR1
SCHEMBL31013844 0.89 TFPI (0.49) TFPINMUR2NMUR1
SCHEMBL30312703 0.88 IL23R (0.50) TFPIPTH1R
SCHEMBL30312682 0.88 IL23R (0.50) TFPIPTH1R
SCHEMBL30312709 0.88 IL23R (0.50) TFPIPTH1R
SCHEMBL30312645 0.88 IL23R (0.50) TFPIPTH1R
SCHEMBL30312711 0.88 IL23R (0.50) TFPIPTH1R
SCHEMBL30312675 0.88 IL23R (0.50) TFPIPTH1R

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-115947786-A Self-assembled short peptide with crystallization inducing capability and long-acting local anesthesia and antitumor drug prepared from self-assembled short peptide 四川大学华西医院 2023-04-11 — — CN disclosed
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