SCHEMBL2767428

SCHEMBL2767428

CN(C(=O)c1ccc(-c2ccccn2)cc1)c1ccc(CN2CCN(C(=O)O)[C@@H](CC(C)(C)C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 13/20 0.47
MCHR1 Q99705 2/20 0.44
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3554838 0.88 MLNR (0.52) MLNRMCHR1HIF1AEPAS1
SCHEMBL2767425 0.82 MLNR (0.48) MLNRMCHR1KCNH2
SCHEMBL2768358 0.80 MLNR (0.64) MLNRHIF1AEPAS1KCNH2
SCHEMBL2765835 0.79 MLNR (0.72) MLNR
SCHEMBL2766394 0.79 MLNR (0.53) MLNRHIF1AEPAS1
SCHEMBL2767430 0.78 MCHR1 (0.42) MLNRMCHR1ABL1BCRHIF1A
SCHEMBL13404794 0.73 MLNR (0.49) MLNRHIF1AEPAS1
SCHEMBL2767564 0.73 MLNR (0.73) MLNR
SCHEMBL2765987 0.73 MLNR (0.73) MLNR
SCHEMBL377692 0.72 PKM (0.41) HIF1AEPAS1

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