SCHEMBL19953636

SCHEMBL19953636

CN1C(=O)Cc2ccccc2C1C(=O)NC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 1/20 0.42
GRM7 Q14831 5/20 0.41
HRH3 Q9Y5N1 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.38
IDO1 P14902 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
SCHEMBL19953510 0.84 HRH3 (0.46) FABP5MTNR1AMTNR1BMAPTGRM7
SCHEMBL19953664 0.84 HRH3 (0.46) FABP5MTNR1AMTNR1BMAPTGRM7
SCHEMBL19953768 0.81 TSHR (0.50) FABP5MAPTGRM7HRH3GAA
SCHEMBL19953513 0.79 GRM7 (0.62) FABP5MTNR1AMTNR1BMAPTGRM7
SCHEMBL19953654 0.79 GRM7 (0.62) FABP5MTNR1AMTNR1BMAPTGRM7
SCHEMBL19953505 0.79 HRH3 (0.43) MAPTGRM7HRH3GAATSHR
SCHEMBL19953652 0.79 ACE (0.47) HDAC4HDAC7HDAC5GRM7
SCHEMBL19953522 0.79 ACE (0.47) HDAC4HDAC7HDAC5GRM7
SCHEMBL19960636 0.78 HDAC4 (0.43) MTNR1AMTNR1BHDAC4HDAC7HDAC5
SCHEMBL19960682 0.75 GRM7 (0.43) MAPTGRM7TSHRLMNA

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 2 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