SCHEMBL19960682

SCHEMBL19960682

O=C(NC1Cc2ccccc2C1)C1c2ccccc2CC(=O)N1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.43
SCN9A Q15858 5/20 0.39
SCN5A Q14524 4/20 0.39
KCNH2 Q12809 3/20 0.39
XIAP P98170 1/20 0.38
DRD4 P21917 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.37
BRD4 O60885 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL19953623 0.83 L3MBTL1 (0.46) GRM7XIAPLMNATSHRMAPT
SCHEMBL19953612 0.83 L3MBTL1 (0.46) GRM7XIAPLMNATSHRMAPT
SCHEMBL19953510 0.81 HRH3 (0.46) GRM7TSHRMAPT
SCHEMBL19953664 0.81 HRH3 (0.46) GRM7TSHRMAPT
SCHEMBL19960807 0.81 LMNA (0.41) GRM7SCN9ASCN5AKCNH2XIAP
SCHEMBL20113177 0.80 GRM7 (0.52) GRM7SCN9ASCN5AKCNH2
SCHEMBL19953654 0.79 GRM7 (0.62) GRM7TSHRMAPTNPSR1MCHR1
SCHEMBL19953513 0.79 GRM7 (0.62) GRM7TSHRMAPTNPSR1MCHR1
SCHEMBL20113028 0.78 SCN9A (0.64) GRM7SCN9ASCN5AKCNH2
SCHEMBL21542310 0.78 RIPK1 (0.38) GRM7SCN9ASCN5AKCNH2XIAP

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-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed