SCHEMBL2287125

SCHEMBL2287125

CC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL2198329 0.85 RAB9A (0.38) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL4896123 0.85 RAB9A (0.39) RAB9ALMNAMAPTNPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL2287120 0.84 RAB9A (0.37) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL10981815 0.77 KDM5A (0.50) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL10994298 0.75 CYP3A4 (0.54) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL5353450 0.71 PDE10A (0.44) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL6404113 0.71 QPCT (0.39) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL4891565 0.70 MEN1 (0.47) MAPTMEN1KMT2A
SCHEMBL2199232 0.69 MAPT (0.48) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL5632035 0.69 NPC1 (0.43) RAB9ALMNAMAPTNPC1ALDH1A1

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-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed