SCHEMBL12419878

SCHEMBL12419878

CN/C(=C\N)C[C@H](NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CC[C@@H](C)C1CCC2C3C(C[C@H](O)C21C)C1(C)CCC(NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1C[C@H]3O)C(C)C)C(=O)NC(CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 20/20 0.87

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
SCHEMBL14403027 0.93 GRPR (0.88) GRPR
SCHEMBL16342119 0.93 GRPR (0.86) GRPR
SCHEMBL16317573 0.93 GRPR (0.90) GRPR
SCHEMBL2292312 0.93 GRPR (0.90) GRPR
SCHEMBL2292367 0.93 GRPR (0.90) GRPR
SCHEMBL14845580 0.91 GRPR (0.79) GRPR
SCHEMBL1357888 0.91 GRPR (0.85) GRPR
SCHEMBL1357915 0.91 GRPR (0.85) GRPR
SCHEMBL1251635 0.88 GRPR (0.89) GRPR
SCHEMBL14973439 0.88 GRPR (0.89) GRPR

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-7989417-B2 Linkers for radiopharmaceutical compounds BRACCO IMAGING S.P.A. (IT) 2011-08-02 — — US disclosed
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