SCHEMBL19953499

SCHEMBL19953499

CN1C(=O)CC(C(=O)NC2Cc3ccccc3C2)c2cccc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.39
GRM7 Q14831 4/20 0.39
CHRM1 P11229 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19953634 0.84 AADAT (0.37) GRM7CHRM1MAPTMEN1KMT2A
SCHEMBL19953533 0.82 FABP5 (0.43) FABP5GRM7MAPTMEN1KMT2A
SCHEMBL19953489 0.82 FABP5 (0.43) FABP5GRM7MAPTMEN1KMT2A
SCHEMBL19953584 0.82 FABP5 (0.43) FABP5GRM7MAPTMEN1KMT2A
SCHEMBL19953537 0.82 GRM7 (0.39) FABP5GRM7CHRM1MAPTMEN1
SCHEMBL19953484 0.81 GRM7 (0.43) FABP5GRM7MAPTMEN1KMT2A
SCHEMBL19953671 0.79 ALDH1A1 (0.39) MAPTMEN1KMT2AAADATALDH1A1
SCHEMBL19960700 0.79 GRM7 (0.43) FABP5GRM7MEN1KMT2ATRPV1
SCHEMBL19953656 0.77 FABP5 (0.41) FABP5GRM7MAPTHRH3MTNR1A
SCHEMBL19960927 0.72 KCNQ2 (0.44) FABP5GRM7HRH3TRPV1MTNR1A

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