SCHEMBL20764459

SCHEMBL20764459

CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 8/20 0.56
▸ NMBR P28336 2/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ GLP1R P43220 3/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ CXCR4 P61073 1/20 0.50

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
SCHEMBL30312760 0.90 GRPR (0.69) GRPRNMBRCTSLCTSSCTSK
SCHEMBL23273234 0.89 GRPR (0.55) GRPRKEAP1GLP1R
SCHEMBL30628980 0.87 GRPR (0.64) GRPRNMBR
SCHEMBL31738529 0.87 GRPR (0.62) GRPRNMBRCTSLCTSSCTSK
SCHEMBL31223171 0.86 GRPR (0.57) GRPRNMBRKEAP1C5AR1
SCHEMBL38660949 0.86 GRPR (0.57) GRPRNMBRKEAP1C5AR1
SCHEMBL30415473 0.85 CTSL (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30883276 0.85 CTSL (0.61) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL30628976 0.85 GRPR (0.59) GRPRNMBR
SCHEMBL31026128 0.85 GHSR (0.54) CTSLCTSSCTSKCTSH

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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