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SCHEMBL20764506

SCHEMBL20764506

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(N)CC(N)=O)C(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 13/20 0.59
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ NMBR P28336 2/20 0.50
▸ GLP1R P43220 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
SCHEMBL38660507 0.94 GRPR (0.58) GRPROPRM1OPRD1GLP1R
SCHEMBL30628977 0.94 GRPR (0.64) GRPRGLP1R
SCHEMBL31223150 0.93 GRPR (0.61) GRPROPRM1OPRD1GLP1R
SCHEMBL29663974 0.91 GRPR (0.68) GRPROPRM1OPRD1GLP1R
SCHEMBL30118090 0.90 GRPR (0.60) GRPROPRM1OPRD1GLP1R
SCHEMBL23273234 0.90 GRPR (0.55) GRPRGLP1R
SCHEMBL38661925 0.90 GRPR (0.61) GRPROPRM1OPRD1GLP1R
SCHEMBL29473430 0.90 REN (0.55) GRPROPRM1OPRD1GLP1R
SCHEMBL31494987 0.89 GRPR (0.56) GRPROPRM1OPRD1
SCHEMBL38661265 0.89 GRPR (0.65) GRPROPRM1OPRD1NMBRGLP1R

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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