SCHEMBL27624976

SCHEMBL27624976

CCCCCNC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O)C(C)C.N=C(N)NCCCC(N)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 11/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.59
▸ KEAP1 Q14145 1/20 0.57
▸ ITGB3 P05106 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ GLP1R P43220 1/20 0.56

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
SCHEMBL28758393 0.93 GRPR (0.67) GRPR
SCHEMBL30192248 0.90 GRPR (0.71) GRPRRXFP1KEAP1
SCHEMBL31738530 0.89 GRPR (0.64) GRPR
SCHEMBL4352522 0.88 GRPR (0.67) GRPR
SCHEMBL4352525 0.88 GRPR (0.67) GRPR
SCHEMBL4344249 0.88 GRPR (0.69) GRPR
SCHEMBL1413932 0.86 GRPR (0.68) GRPR
SCHEMBL1413933 0.86 GRPR (0.68) GRPR
SCHEMBL16300490 0.86 GRPR (0.72) GRPRITGB3ITGAV
SCHEMBL31041075 0.85 PTH1R (0.67) RXFP1KEAP1GLP1R

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
CN-100534535-C Improved linkers for pharmaceutical compounds BRACCO IMAGING SPA (IT) 2009-09-02 — — CN disclosed
CN-1738652-A Improved linkers for pharmaceutical compounds BRACCO IMAGING SPA (IT) 2006-02-22 — — CN disclosed
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