SCHEMBL5592397

SCHEMBL5592397

CC(C)(C)c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.47
SIGMAR1 Q99720 9/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL5836154 0.88 MEN1 (0.53) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL1949475 0.87 HPGD (0.56) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL3767269 0.85 TMEM97 (0.47) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL6323472 0.85 MEN1 (0.48) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL21800330 0.80 TMEM97 (0.60) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL5592390 0.80 TMEM97 (0.46) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL5592215 0.80 ALDH1A1 (0.43) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL19960792 0.79 SMN1; SMN2 (0.45) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL4694452 0.79 HRH3 (0.50) HRH1HRH3SMN1; SMN2NPC1RAB9A
SCHEMBL2674901 0.79 MEN1 (0.51) TMEM97SIGMAR1HTR1AADRA2AADRA2B

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-2007057742-A2 NOVEL PIPERAZINONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed