SCHEMBL2802496

SCHEMBL2802496

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MLNR O43193 17/20 0.62
HPGDS O60760 2/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL3564356 0.88 MLNR (0.65) MLNRHPGDSSTAT3
SCHEMBL2767559 0.86 MLNR (0.48) MLNR
SCHEMBL2766195 0.83 MLNR (0.41) MLNR
SCHEMBL3559461 0.82 MLNR (0.60) MLNR
SCHEMBL3570120 0.82 MLNR (0.53) MLNR
SCHEMBL2767430 0.81 MCHR1 (0.42) MLNR
SCHEMBL2767222 0.81 MLNR (0.51) MLNR
SCHEMBL2766488 0.80 MLNR (0.65) MLNRHPGDSSTAT3
SCHEMBL2767806 0.80 MLNR (0.75) MLNR
SCHEMBL2767409 0.80 MLNR (0.80) 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
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed