SCHEMBL4355052

SCHEMBL4355052

CCCC(=O)NCCc1sc2c(c1C#N)CCC(NCC1CCc3ccccc31)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.44
MTNR1A P48039 11/20 0.44
GCGR P47871 1/20 0.39
NQO2 P16083 3/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

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
SCHEMBL4355044 0.83 MTNR1A (0.40) MTNR1BMTNR1AGCGRMAPTNPSR1
SCHEMBL4355054 0.80 GCGR (0.47) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4355057 0.80 GCGR (0.40) MTNR1BMTNR1AGCGRMAPTNPSR1
SCHEMBL4046896 0.79 GCGR (0.37) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4042850 0.77 GCGR (0.64) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL8886980 0.63 MTNR1A (0.59) MTNR1BMTNR1ANQO2
SCHEMBL12964162 0.62 MTNR1A (0.64) MTNR1BMTNR1ANQO2
SCHEMBL15286705 0.61 HTR6 (0.49) MTNR1BMTNR1A
SCHEMBL4045250 0.61 GCGR (0.71) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL1567238 0.61 MTNR1A (0.55) MTNR1BMTNR1A

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-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP claimed