SCHEMBL8223752

SCHEMBL8223752

Bc1cnc2cc(C(=O)N3CCc4c(ccc5c4CN(C)C5=O)C3C)nn2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.37
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1008895 0.90 GRM5 (0.42) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1009713 0.90 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3813142 0.79 GRM5 (0.33) GRM5
SCHEMBL3819163 0.79 MAPK1 (0.33)
SCHEMBL8212864 0.78 F11 (0.38) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8215209 0.78 ESR2 (0.37) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL12952498 0.78 GRM5 (0.37) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011176 0.77 GRM5 (0.42) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011577 0.77 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8221373 0.76 ALDH1A1 (0.41) GRM5ALDH1A1TDP1GAAMAPT

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-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed