SCHEMBL7248765

SCHEMBL7248765

CC(C)(C)c1ccc(CN2C(=O)C=NCc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 3/20 0.44
DRD2 P14416 3/20 0.40
DRD4 P21917 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 1/20 0.40
METAP2 P50579 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL7244783 0.85 POLB (0.55) GAAPOLBDRD2DRD4KMT2A
SCHEMBL4992588 0.78 HTT (0.58) HTTNPSR1GAAGPR55LMNA
SCHEMBL7247950 0.77 ADRA2A (0.44) HTTPOLBDRD2DRD4KMT2A
SCHEMBL7246923 0.76 ADRA2B (0.40) HTTNPSR1LMNAPOLBDRD2
SCHEMBL7251023 0.76 LMNA (0.46) HTTGAALMNATP53POLB
SCHEMBL6300505 0.76 POLB (0.51) HTTNPSR1GAAGPR55LMNA
SCHEMBL7242574 0.75 KMT2A (0.59) NPSR1GAATP53POLBDRD2
SCHEMBL7244603 0.75 SIRT2 (0.44) HTTNPSR1GAAPOLBKMT2A
SCHEMBL30489340 0.73 DRD2 (0.51) HTTNPSR1GAAGPR55LMNA
SCHEMBL7242765 0.72 GSK3A (0.49) HTTGAAPOLBDRD2DRD4

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
US-6632811-B2 Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell ATHENA NEUROSCIENCES, INC. 2003-10-14 US disclosed