SCHEMBL30536312

SCHEMBL30536312

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.49
▸ VIPR2 P41587 5/20 0.48
▸ VIPR1 P32241 3/20 0.48
▸ KISS1R Q969F8 5/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ 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
▸ ECE1 P42892 1/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ MUS81 Q96NY9 1/20 0.44

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
SCHEMBL9294815 0.91 VIPR2 (0.46) TASP1VIPR2VIPR1KISS1RBACE1
SCHEMBL9294796 0.91 VIPR2 (0.46) TASP1VIPR2VIPR1KISS1RBACE1
SCHEMBL31605454 0.91 NPY4R (0.48) KISS1RBACE1
SCHEMBL30512534 0.90 RXFP1 (0.51) TASP1VIPR2VIPR1BACE1ECE1
SCHEMBL31299909 0.89 VIPR1 (0.48) TASP1VIPR2VIPR1KISS1RBACE1
SCHEMBL30974502 0.89 KISS1R (0.48) TASP1VIPR2VIPR1KISS1RBACE1
SCHEMBL31307257 0.89 KISS1R (0.50) VIPR2VIPR1KISS1RBACE1
SCHEMBL31307230 0.89 KISS1R (0.48) VIPR2VIPR1KISS1RBACE1
SCHEMBL10335931 0.88 VIPR1 (0.46) TASP1VIPR2VIPR1KISS1RBACE1
SCHEMBL29995622 0.88 NPY4R (0.46) TASP1VIPR2VIPR1KISS1R

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
US-20230270838-A1 VACCINE COMPOSITIONS FOR INFLUENZA VIRUSES AND METHODS OF USE ASCIONE RICHARD (US) 2023-08-31 — — US disclosed
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