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SCHEMBL20764468

SCHEMBL20764468

CC(NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(N)Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ OPRL1 P41146 7/20 0.54
▸ BACE1 P56817 1/20 0.49
▸ VIPR1 P32241 1/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ CCKAR P32238 2/20 0.48
▸ CCKBR P32239 2/20 0.48

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
SCHEMBL20764456 0.94 TFPI (0.57) TFPIOPRL1BACE1
SCHEMBL29622911 0.90 TFPI (0.62) TFPIOPRL1BACE1VIPR1
SCHEMBL23273225 0.90 TFPI (0.54) TFPIOPRL1BACE1CCKBR
SCHEMBL30421823 0.90 TFPI (0.61) TFPIBACE1VIPR1
SCHEMBL30609200 0.87 TFPI (0.66) TFPIBACE1VIPR1
SCHEMBL29679931 0.86 BACE1 (0.52) OPRL1BACE1VIPR1OPRD1CCKAR
SCHEMBL31183006 0.86 TFPI (0.65) TFPIBACE1VIPR1
SCHEMBL30429239 0.86 TFPI (0.62) TFPIOPRD1
SCHEMBL29630648 0.86 OPRD1 (0.47) TFPIOPRD1
SCHEMBL29417385 0.85 PTH1R (0.54) TFPIVIPR1

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
EP-3672626-A1 COMPOSITION OF TUMOR-ASSOCIATED PROLIFERATIVE PEPTIDES AND RELATED ANTI-CANCER IMMUNOGEN FOR THE TREATMENT OF LUNG CANCERS AND OTHER CANCERS Onkologix Ltd (US) 2020-07-01 — — EP disclosed
WO-2019038671-A1 COMPOSITION OF TUMOR-ASSOCIATED PROLIFERATIVE PEPTIDES AND RELATED ANTI-CANCER IMMUNOGEN FOR THE TREATMENT OF LUNG CANCERS AND OTHER CANCERS ONKOLOGIX LTD (US) 2019-02-28 — — WO disclosed
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