SCHEMBL19953656

SCHEMBL19953656

O=C(NC1Cc2ccccc2C1)C1CC(=O)N2CCc3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.41
HRH3 Q9Y5N1 4/20 0.38
KCNQ2 O43526 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM7 Q14831 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL19953499 0.77 FABP5 (0.39) FABP5HRH3MTNR1AMTNR1BEPHX2
SCHEMBL19953489 0.74 FABP5 (0.43) FABP5HRH3MTNR1AMTNR1BEPHX2
SCHEMBL19953584 0.74 FABP5 (0.43) FABP5HRH3MTNR1AMTNR1BEPHX2
SCHEMBL19953533 0.74 FABP5 (0.43) FABP5HRH3MTNR1AMTNR1BEPHX2
SCHEMBL19953514 0.72 OPRM1 (0.43) FABP5HRH3KCNQ2MTNR1AMTNR1B
SCHEMBL19960560 0.71 HRH3 (0.45) FABP5HRH3MTNR1AMTNR1BMAPT
SCHEMBL7132234 0.71 CA12 (0.40) MAPTKDM4E
SCHEMBL19953667 0.70 ACE (0.47) FABP5HRH3MTNR1AMTNR1BGRM7
SCHEMBL19960927 0.69 KCNQ2 (0.44) FABP5HRH3KCNQ2MTNR1AMTNR1B
SCHEMBL19953484 0.69 GRM7 (0.43) FABP5EPHX2MAPTGRM7

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