SCHEMBL4753784

SCHEMBL4753784

COc1ccc2nc(C3CCCCC3)nc(N3CCN(CC=O)CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 18/20 0.61
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.44
TSPO P30536 1/20 0.44
HTR7 P34969 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
HTR3A P46098 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4096402 0.85 NTSR1 (0.70) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4754337 0.85 NTSR1 (0.43) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4095451 0.84 NTSR1 (0.69) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4090980 0.82 NTSR1 (0.63) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4096410 0.81 NTSR1 (0.59) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4088982 0.77 NTSR1 (0.70) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL15819562 0.76 NTSR1 (1.00) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4089276 0.76 NTSR1 (0.69) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4753639 0.75 MAPT (0.61) NTSR1ALDH1A1MAPTKDM4ELMNA
SCHEMBL15818754 0.73 NTSR1 (1.00) NTSR1ALDH1A1MAPTPAX8L3MBTL1

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-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed