SCHEMBL4967939

SCHEMBL4967939

CC(C)CNC(=O)C1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 16/20 0.48
CTSC P53634 1/20 0.40
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
ALDH1A1 P00352 1/20 0.37
REN P00797 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6624381 0.89 SSTR4 (0.47) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL26724416 0.86 SSTR4 (0.47) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL18664463 0.83 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL18664465 0.83 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL8860932 0.83 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL487610 0.79 SSTR4 (0.49) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL6039537 0.79 SSTR4 (0.49) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL29516296 0.79 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL20711876 0.79 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL5634966 0.79 SSTR4 (0.48) SSTR4CTSCSSTR1SSTR2SSTR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP claimed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO claimed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed