SCHEMBL19953537

SCHEMBL19953537

CN1C(=O)CC(C(=O)NC2Cc3ccccc3C2)c2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.39
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
RIPK1 Q13546 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
CHRM1 P11229 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FABP5 Q01469 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
SCHEMBL19953584 0.82 FABP5 (0.43) GRM7MEN1MAPTKMT2AHRH3
SCHEMBL19953533 0.82 FABP5 (0.43) GRM7MEN1MAPTKMT2AHRH3
SCHEMBL19953489 0.82 FABP5 (0.43) GRM7MEN1MAPTKMT2AHRH3
SCHEMBL19953499 0.82 FABP5 (0.39) GRM7TRPV1MEN1MAPTKMT2A
SCHEMBL19953484 0.81 GRM7 (0.43) GRM7TRPV1MEN1MAPTKMT2A
SCHEMBL19960700 0.79 GRM7 (0.43) GRM7TRPV1MEN1KMT2APYGL
SCHEMBL19960927 0.74 KCNQ2 (0.44) GRM7TRPV1HRH3MTNR1AMTNR1B
SCHEMBL19960560 0.70 HRH3 (0.45) GRM7MEN1MAPTKMT2AHRH3
SCHEMBL19953508 0.69 HRH3 (0.46) GRM7MAPTHRH3MTNR1AMTNR1B
SCHEMBL19953514 0.68 OPRM1 (0.43) MAPTHRH3MTNR1AMTNR1BFABP5

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