SCHEMBL2767561

SCHEMBL2767561

Cc1cc(NCC(=O)c2ccc(Oc3ccc(F)cc3)nc2)ncc1CN1CCN(C(=O)O)[C@@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.53
PRKAA2 P54646 1/20 0.43
RORC P51449 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
MGLL Q99685 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CCR1 P32246 1/20 0.39
KCNH2 Q12809 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
SCHEMBL2767209 0.83 MLNR (0.76) MLNRPRKAA2RORCHRH3MGLL
SCHEMBL2765303 0.80 MLNR (0.76) MLNRHRH3
SCHEMBL2765888 0.76 MLNR (0.66) MLNRHRH3MGLL
SCHEMBL2765767 0.75 MLNR (0.76) MLNRHRH3PTGDR2CCR1
SCHEMBL2768519 0.75 MLNR (0.76) MLNRPRKAA2HRH3MGLLCCR1
SCHEMBL3561143 0.74 MLNR (0.71) MLNRPRKAA2RORCHRH3MGLL
SCHEMBL2766253 0.74 MGLL (0.43) RORCMGLLPTGDR2KCNH2
SCHEMBL2767002 0.74 MLNR (0.61) MLNRPRKAA2CCR1
SCHEMBL2769238 0.73 MLNR (0.75) MLNRPRKAA2HRH3MGLLCCR1
SCHEMBL2767820 0.73 MLNR (0.57) MLNRHRH3MGLLCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed