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SCHEMBL21096703

SCHEMBL21096703

CNC(Cc1cc2ccccc2[nH]1)C(=O)NC1CSSCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 18/20 0.57
▸ SSTR5 P35346 12/20 0.57
▸ SSTR4 P31391 12/20 0.57
▸ SSTR3 P32745 7/20 0.56
▸ SSTR1 P30872 4/20 0.54

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
SCHEMBL20725191 0.98 SSTR2 (0.58) SSTR2SSTR5SSTR4SSTR3SSTR1
Acetic Acid SCHEMBL19712183 0.80 SSTR2 (0.77) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL21917396 0.80 SSTR2 (0.70) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL20725177 0.79 SSTR2 (0.84) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL20725182 0.79 SSTR2 (0.84) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL25556872 0.78 SSTR2 (0.76) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL24253355 0.78 SSTR2 (0.75) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL21096706 0.77 SSTR2 (0.78) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL21362930 0.77 SSTR2 (0.63) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL18712687 0.76 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1

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
EP-2680889-B1 RADIOLABELLED OCTREOTATE ANALOGUES AS PET TRACERS GE HEALTHCARE LTD (GB) 2019-06-19 — — EP disclosed
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