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SCHEMBL29650465

SCHEMBL29650465

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.52
▸ VIPR2 P41587 6/20 0.48
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ TFPI P10646 1/20 0.44
▸ IL23R Q5VWK5 1/20 0.43
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL29679556 0.89 VIPR1 (0.47) VIPR1VIPR2
SCHEMBL29833271 0.89 VIPR1 (0.52) VIPR1VIPR2TFPIBACE1
SCHEMBL29972934 0.88 VIPR1 (0.48) VIPR1VIPR2TFPIBACE1
SCHEMBL29473709 0.88 VIPR1 (0.46) VIPR1VIPR2GRIN2DGRIN3BGRIN1
SCHEMBL29965457 0.87 VIPR1 (0.49) VIPR1VIPR2GRIN2DGRIN3BGRIN1
SCHEMBL30262127 0.87 VIPR1 (0.60) VIPR1VIPR2GRIN2DGRIN3BGRIN1
SCHEMBL8973565 0.87 TFPI (0.50) VIPR1VIPR2TFPIIL23RBACE1
SCHEMBL31688348 0.87 VIPR1 (0.45) VIPR1VIPR2IL23R
SCHEMBL30168735 0.86 TFPI (0.52) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29694507 0.86 VIPR2 (0.56) VIPR1VIPR2GRIN2DGRIN3BGRIN1

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
US-20230130218-A1 IMMUNOTHERAPEUTIC MODULATION OF AMYLOIDOGENIC DISEASE USING NON-FIBRILLOGENIC, NON-AMYLOIDOGENIC POLYMERIZED PROTEINS AND PEPTIDES UNIV NEW YORK (US) 2023-04-27 — — US disclosed
US-11332506-B2 Immunotherapeutic modulation of amyloidogenic disease using non-fibrillogenic, non-amyloidogenic polymerized proteins and peptides NEW YORK UNIVERSITY (US) 2022-05-17 — — US disclosed
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