SCHEMBL4053140

SCHEMBL4053140

CC(C)(C)c1ccc(C2c3cccn3CCCN2c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2C P18825 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4154924 0.78 LMNA (0.45) MAPTSMN1; SMN2HTTTP53
SCHEMBL4048036 0.78 MAPT (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3949058 0.72 ADRA2C (0.67) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4049999 0.69 L3MBTL1 (0.38) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4158829 0.69 SLC6A2 (0.40) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3958750 0.69 ALDH1A1 (0.68) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13162094 0.65 ALDH1A1 (0.50) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL11490697 0.65 MAPT (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3959407 0.65 SLC6A2 (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3959433 0.64 ADRA2C (0.44) KDM4EALDH1A1ADRA2CNPC1HTT

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-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed