SCHEMBL29939684

SCHEMBL29939684

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ IL23R Q5VWK5 6/20 0.51
▸ QRFPR Q96P65 1/20 0.49
▸ KEAP1 Q14145 2/20 0.49
▸ OPRL1 P41146 2/20 0.49
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY4R P50391 2/20 0.48
▸ NPY5R Q15761 2/20 0.48

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
SCHEMBL30312694 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312720 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312704 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312692 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312683 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312707 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312660 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312706 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312724 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1
SCHEMBL30312729 0.95 QRFPR (0.52) TFPIIL23RQRFPROPRL1

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-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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