SCHEMBL20113019

SCHEMBL20113019

O=C(NCc1ccc(I)cc1)C1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.68
SCN9A Q15858 11/20 0.42
SCN5A Q14524 6/20 0.42
KCNH2 Q12809 5/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KCNA5 P22460 2/20 0.37
XIAP P98170 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL20113020 0.90 GRM7 (0.68) GRM7SCN9ASCN5AALDH1A1KMT2A
SCHEMBL20113106 0.90 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20113104 0.90 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20113080 0.85 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20112963 0.84 GRM7 (0.49) GRM7SCN9ASCN5AKCNH2HSP90AA1
SCHEMBL20113084 0.83 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20113103 0.83 GRM7 (0.65) GRM7HSP90AA1HSP90AB1KMT2A
SCHEMBL20112955 0.81 GRM7 (1.00) GRM7ALDH1A1LMNA
SCHEMBL20113021 0.81 GRM7 (0.78) GRM7ALDH1A1KMT2ALMNA
SCHEMBL20112958 0.80 GRM7 (0.59) GRM7SCN9ASCN5AKCNH2

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