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SCHEMBL1651014

SCHEMBL1651014

CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 9/20 0.83
▸ SSTR2 P30874 14/20 0.80
▸ SSTR5 P35346 10/20 0.80
▸ SSTR3 P32745 2/20 0.79

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
SCHEMBL180440 1.00 SSTR4 (0.83) SSTR4SSTR2SSTR5SSTR3
SCHEMBL29414558 1.00 SSTR4 (0.83) SSTR4SSTR2SSTR5SSTR3
SCHEMBL5069978 0.99 SSTR4 (0.82) SSTR4SSTR2SSTR5SSTR3
SCHEMBL29449384 0.99 SSTR4 (0.82) SSTR4SSTR2SSTR5SSTR3
SCHEMBL29408685 0.97 SSTR4 (0.79) SSTR4SSTR2SSTR5SSTR3
SCHEMBL29360979 0.95 SSTR4 (0.78) SSTR4SSTR2SSTR5SSTR3
SCHEMBL29653935 0.95 SSTR2 (0.79) SSTR4SSTR2SSTR5SSTR3
SCHEMBL23482744 0.91 SSTR2 (0.88) SSTR4SSTR2SSTR5SSTR3
SCHEMBL23901126 0.91 SSTR2 (0.88) SSTR4SSTR2SSTR5SSTR3
SCHEMBL24064978 0.91 SSTR2 (0.83) SSTR4SSTR2SSTR5SSTR3

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed