SCHEMBL19960705

SCHEMBL19960705

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.34
GRM7 Q14831 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
TRPV1 Q8NER1 4/20 0.30
TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL19953582 0.67 GRM7 (0.41) GRM7TRPV1
SCHEMBL19953542 0.62 GRM7 (0.41) GRM7TRPV1
SCHEMBL9028558 0.60 MEN1 (0.50)
SCHEMBL20257893 0.59 GRM7 (0.49) PRMT5GRM7HRH3
SCHEMBL16506973 0.58 TRIM24 (0.49)
SCHEMBL19657308 0.58 CASP3 (0.43)
SCHEMBL6748962 0.58 NOTUM (0.45) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL19960700 0.58 GRM7 (0.43) GRM7TRPV1
SCHEMBL19960564 0.58 HRH3 (0.40) PRMT5GRM7HRH3
SCHEMBL19953584 0.58 FABP5 (0.43) GRM7HRH3HDAC4

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