SCHEMBL2662273

SCHEMBL2662273

CCCCCC(=O)Oc1c(C(=O)NCCC(=O)OC)cccc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
KCNA3 P22001 2/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8410489 0.75 NR1H4 (0.56) HPGDHTT
SCHEMBL449968 0.68 HDAC3 (0.51) HPGDHTT
SCHEMBL2653898 0.67 THRA (0.58)
SCHEMBL14315097 0.67 POLM (0.58)
SCHEMBL29152244 0.66 POLM (0.50) HTT
SCHEMBL24445761 0.66 HPGD (0.47) HPGD
SCHEMBL14121014 0.66 MAPK1 (0.54) HPGDHTT
SCHEMBL8676315 0.66 KMT2A (0.57) HPGDHTT
SCHEMBL6405253 0.65 KMT2A (0.59) HPGDHTT
SCHEMBL951698 0.65 KMT2A (0.59) HPGDHTT

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
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed