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Sugi Predict / Compounds / SCHEMBL30648458

SCHEMBL30648458

SCHEMBL30648458

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.71
▸ NPY4R P50391 8/20 0.71
▸ NPY5R Q15761 8/20 0.71
▸ NPY1R P25929 6/20 0.71
▸ CALCR P30988 5/20 0.64
▸ RAMP3 O60896 3/20 0.64
▸ TFPI P10646 3/20 0.63
▸ NMUR2 Q9GZQ4 1/20 0.62
▸ NMUR1 Q9HB89 1/20 0.62
▸ EP300 Q09472 1/20 0.62
▸ HIF1A Q16665 1/20 0.62

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
SCHEMBL30906497 0.96 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906478 0.96 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906377 0.96 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906476 0.94 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906464 0.94 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30277961 0.94 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29810268 0.93 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000895 0.92 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29479848 0.92 F2 (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182752 0.92 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR

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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