SCHEMBL2767504

SCHEMBL2767504

COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN(C(=O)O)[C@@H](C)C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLNR O43193 16/20 0.77
CCR5 P51681 1/20 0.42
HPGDS O60760 1/20 0.40
STAT3 P40763 1/20 0.40
WNT3A P56704 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
SCHEMBL13404778 0.91 MLNR (0.72) MLNRCCR5HPGDSSTAT3
SCHEMBL2766772 0.90 MLNR (0.75) MLNRCCR5HPGDSSTAT3
SCHEMBL2767806 0.87 MLNR (0.75) MLNR
SCHEMBL2766326 0.87 MLNR (1.00) MLNR
SCHEMBL2767300 0.83 MLNR (0.76) MLNRCCR5
SCHEMBL13404776 0.82 MLNR (0.70) MLNRCCR5HPGDSSTAT3
SCHEMBL3564356 0.82 MLNR (0.65) MLNRHPGDSSTAT3WNT3A
SCHEMBL2767730 0.81 MLNR (0.61) MLNRHPGDSWNT3A
SCHEMBL2766023 0.81 MLNR (0.76) MLNRHPGDS
SCHEMBL2767231 0.79 MLNR (0.76) MLNRHPGDS

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-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed