SCHEMBL20113178

SCHEMBL20113178

O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2CC(=O)N1CCCF

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PRMT5 O14744 5/20 0.43
WDR77 Q9BQA1 5/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
SCN5A Q14524 5/20 0.41
SCN9A Q15858 5/20 0.41
KCNH2 Q12809 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 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
SCHEMBL20113104 0.84 GRM7 (0.74) GRM7MEN1KMT2APRMT5WDR77
SCHEMBL20113106 0.84 GRM7 (0.74) GRM7MEN1KMT2APRMT5WDR77
SCHEMBL20112964 0.82 GRM7 (0.49) GRM7MEN1KMT2AALDH1A1
SCHEMBL20112963 0.82 GRM7 (0.49) GRM7SCN5ASCN9AKCNH2
SCHEMBL20113177 0.81 GRM7 (0.52) GRM7PRMT5WDR77SCN5ASCN9A
SCHEMBL20113084 0.81 GRM7 (0.66) GRM7MEN1KMT2APRMT5WDR77
SCHEMBL20113077 0.79 GRM7 (0.43) GRM7MEN1KMT2AALDH1A1POLB
SCHEMBL19960658 0.79 GRM7 (0.43) GRM7MEN1KMT2AALDH1A1POLB
SCHEMBL19953523 0.79 GRM7 (0.43) GRM7MEN1KMT2AALDH1A1POLB
SCHEMBL19960858 0.76 GRM7 (0.40) GRM7KMT2AALDH1A1

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
WO-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed