SCHEMBL19953489

SCHEMBL19953489

CN1C(=O)C[C@H](C(=O)NC2Cc3ccccc3C2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM7 Q14831 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL19953533 1.00 FABP5 (0.43) FABP5HDAC4HDAC7HDAC5ADRA2A
SCHEMBL19953584 1.00 FABP5 (0.43) FABP5HDAC4HDAC7HDAC5ADRA2A
SCHEMBL19960927 0.89 KCNQ2 (0.44) FABP5HDAC4HDAC7HDAC5ADRA2A
SCHEMBL19953484 0.86 GRM7 (0.43) FABP5GRM7LMNAMEN1KMT2A
SCHEMBL19960700 0.86 GRM7 (0.43) FABP5GRM7LMNAMEN1KMT2A
SCHEMBL19960560 0.84 HRH3 (0.45) FABP5GRM7HRH3MTNR1AMTNR1B
SCHEMBL19953514 0.82 OPRM1 (0.43) FABP5HRH3MTNR1AMTNR1BMAPT
SCHEMBL19960585 0.82 HDAC4 (0.48) HDAC4HDAC7HDAC5ADRA2AADRA2B
SCHEMBL19960839 0.82 HDAC4 (0.39) HDAC4HDAC7HDAC5ADRA2AADRA2B
SCHEMBL19953537 0.82 GRM7 (0.39) FABP5GRM7HRH3MTNR1AMTNR1B

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