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Sugi Predict / Compounds / SCHEMBL29965869

SCHEMBL29965869

SCHEMBL29965869

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.53
▸ TFPI P10646 1/20 0.50
▸ GLP1R P43220 3/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ MUS81 Q96NY9 1/20 0.49
▸ VIPR1 P32241 1/20 0.47
▸ PTH1R Q03431 2/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ RAMP3 O60896 3/20 0.46
▸ CALCR P30988 3/20 0.46

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
SCHEMBL30819872 0.92 RXFP1 (0.49) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL30512534 0.91 RXFP1 (0.51) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL31461936 0.89 BACE1 (0.50) RXFP1BACE1
SCHEMBL30576940 0.89 RXFP1 (0.55) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL30974395 0.88 TFPI (0.52) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL31295719 0.88 TFPI (0.59) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL31688310 0.88 TFPI (0.57) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL31255227 0.88 RXFP1 (0.58) RXFP1TFPIGLP1RECE1MUS81
SCHEMBL30262095 0.87 TFPI (0.54) RXFP1TFPIVIPR1BACE1
SCHEMBL30262158 0.87 RXFP1 (0.56) RXFP1TFPIGLP1RECE1MUS81

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-115109121-A Polypeptide specifically bound to RIPK3 and application thereof 北京伟峰益民科技有限公司 2022-09-27 — — CN disclosed
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