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SCHEMBL30648453

SCHEMBL30648453

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.61
▸ VIPR1 P32241 2/20 0.60
▸ GLP1R P43220 6/20 0.58
▸ ECE1 P42892 1/20 0.58
▸ MUS81 Q96NY9 1/20 0.58
▸ IL23R Q5VWK5 2/20 0.58
▸ VIPR2 P41587 2/20 0.57
▸ NPY2R P49146 5/20 0.56
▸ NPY4R P50391 5/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ NPY1R P25929 3/20 0.56

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
SCHEMBL30495717 0.94 TFPI (0.66) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30168765 0.93 TFPI (0.63) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30168689 0.92 TFPI (0.57) TFPIVIPR1IL23RVIPR2
SCHEMBL30262251 0.92 TFPI (0.63) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL31031575 0.91 TFPI (0.64) TFPIVIPR1IL23RVIPR2
SCHEMBL29742337 0.91 TFPI (0.58) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29836514 0.91 TFPI (0.64) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30176419 0.91 VIPR1 (0.68) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29836412 0.91 TFPI (0.57) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30973957 0.90 TFPI (0.64) TFPIVIPR1IL23RVIPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
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