Sugi Predict

Sugi Predict / Compounds / SCHEMBL30198769

SCHEMBL30198769

SCHEMBL30198769

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.65
▸ PTH1R Q03431 4/20 0.63
▸ VIPR1 P32241 4/20 0.62
▸ VIPR2 P41587 6/20 0.61

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
SCHEMBL29387006 0.95 TFPI (0.65) TFPIPTH1RVIPR1VIPR2
SCHEMBL29649210 0.93 TFPI (0.56) TFPIPTH1RVIPR1VIPR2
SCHEMBL29417385 0.93 PTH1R (0.54) TFPIPTH1RVIPR1VIPR2
SCHEMBL30495773 0.93 TFPI (0.68) TFPIPTH1RVIPR1VIPR2
SCHEMBL29624097 0.92 VIPR1 (0.68) TFPIPTH1RVIPR1VIPR2
SCHEMBL30176441 0.92 TFPI (0.64) TFPIPTH1RVIPR1VIPR2
Skekigkefkrivqrikdflr SCHEMBL30338004 0.92 PTH1R (0.64) TFPIPTH1RVIPR1VIPR2
SCHEMBL30906373 0.92 VIPR1 (0.60) TFPIPTH1RVIPR1VIPR2
SCHEMBL29489273 0.91 TFPI (0.73) TFPIPTH1RVIPR1VIPR2
SCHEMBL30512567 0.91 VIPR1 (0.60) TFPIPTH1RVIPR1VIPR2

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-115835887-A Gene therapy compositions and methods for treating parkinson's disease 牛津生物医学（英国）有限公司 2023-03-21 — — CN disclosed
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