SCHEMBL20112967

SCHEMBL20112967

O=C(NCc1ccc(Cl)c(Cl)c1)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.58
P2RX7 Q99572 2/20 0.46
SCN9A Q15858 4/20 0.45
SCN5A Q14524 2/20 0.45
KCNH2 Q12809 2/20 0.45
ENPP2 Q13822 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CCR2 P41597 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
SCHEMBL20112956 0.93 GRM7 (0.62) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112966 0.91 GRM7 (0.55) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112961 0.90 GRM7 (0.58) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113084 0.87 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20112965 0.84 GRM7 (0.57) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113103 0.83 GRM7 (0.65) GRM7P2RX7HSP90AA1HSP90AB1MEN1
SCHEMBL20113080 0.81 GRM7 (0.74) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113019 0.80 GRM7 (0.68) GRM7SCN9ASCN5AKCNH2HSP90AA1
SCHEMBL20113106 0.80 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20113020 0.80 GRM7 (0.68) GRM7SCN9ASCN5AALDH1A1KMT2A

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