SCHEMBL2010303

SCHEMBL2010303

C[C@]1(Cc2ccccc2)CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.63
HRH3 Q9Y5N1 1/20 0.36
SLC16A3 O15427 10/20 0.35
SLC16A1 P53985 10/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
KCNH2 Q12809 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
SCHEMBL2013140 0.93 MLNR (0.61) MLNRHRH1CCR3KCNH2
SCHEMBL3134434 0.82 MLNR (0.73) MLNRHRH3SLC16A3SLC16A1HRH1
SCHEMBL2010301 0.81 MLNR (0.66) MLNRHRH3SLC16A3SLC16A1
SCHEMBL2009415 0.78 MLNR (1.00) MLNRHRH1CCR3KCNH2
SCHEMBL4690685 0.78 MLNR (1.00) MLNRHRH1CCR3KCNH2
SCHEMBL2009345 0.76 MLNR (1.00) MLNR
SCHEMBL3138321 0.74 MLNR (0.72) MLNRHRH1CCR3KCNH2
SCHEMBL2013138 0.74 MLNR (0.65) MLNR
SCHEMBL2012520 0.70 MLNR (0.63) MLNRHRH3SLC16A3SLC16A1
SCHEMBL2007976 0.69 MLNR (1.00) MLNR

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
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed