SCHEMBL19960700

SCHEMBL19960700

CN1C(=O)CC(C(=O)NC2Cc3ccccc3C2)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.43
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
FABP5 Q01469 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 7/20 0.37
CHRNA7 P36544 1/20 0.37
TDP2 O95551 1/20 0.37
CASP6 P55212 1/20 0.37
UBE2I P63279 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19953484 0.91 GRM7 (0.43) GRM7PYGLPYGMFABP5MEN1
SCHEMBL19953533 0.86 FABP5 (0.43) GRM7FABP5MEN1KMT2AEPHX2
SCHEMBL19953584 0.86 FABP5 (0.43) GRM7FABP5MEN1KMT2AEPHX2
SCHEMBL19953489 0.86 FABP5 (0.43) GRM7FABP5MEN1KMT2AEPHX2
SCHEMBL19953499 0.79 FABP5 (0.39) GRM7FABP5MEN1KMT2ATRPV1
SCHEMBL19953537 0.79 GRM7 (0.39) GRM7PYGLPYGMFABP5MEN1
SCHEMBL19960927 0.76 KCNQ2 (0.44) GRM7FABP5TRPV1EPHX2
SCHEMBL19960560 0.74 HRH3 (0.45) GRM7FABP5MEN1KMT2A
SCHEMBL19953582 0.73 GRM7 (0.41) GRM7PYGLPYGMMEN1KMT2A
SCHEMBL19953525 0.73 ALDH1A1 (0.44) GRM7FABP5MEN1KMT2ATRPV1

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