SCHEMBL11197151

SCHEMBL11197151

CCc1noc(C)c1-c1c(C(=O)C(=O)N(CC)CC)c2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.44
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL11196148 0.91 TSPO (0.40) TSPOALDH1A1NPC1RAB9AMAPT
SCHEMBL11199117 0.83 TSPO (0.42) TSPOALDH1A1NPC1RAB9AMAPT
SCHEMBL11194130 0.83 KMT2A (0.47)
SCHEMBL11194360 0.82 KMT2A (0.47)
SCHEMBL11201159 0.80 TSPO (0.40) TSPOALDH1A1NPC1RAB9AMAPT
SCHEMBL11194217 0.78 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL10979543 0.78 ALDH1A1 (0.61) ALDH1A1
SCHEMBL11199769 0.78 EGFR (0.39) TSPOALDH1A1NPC1RAB9AMAPT
SCHEMBL11205941 0.78 TSPO (0.39) TSPOALDH1A1NPC1RAB9AMAPT
SCHEMBL11199511 0.77 CYP1A2 (0.44) TSPOALDH1A1MAPTTSHR

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-4397850-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-08-09 US disclosed