SCHEMBL18237835

SCHEMBL18237835

CC(C)c1ccc2c(n1)OCCN2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL852827 0.77 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL382392 0.77 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL2109252 0.74 S1PR1 (0.35)
SCHEMBL22048899 0.74 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL20870315 0.73 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL13340897 0.73 ALDH1A1 (0.40) GRM5ALDH1A1GAAMAPTHSD17B10
Hydrochloric Acid SCHEMBL2111977 0.73 S1PR1 (0.34)
SCHEMBL21603210 0.73 OGA (0.39) GRM5
SCHEMBL23554439 0.72 CYP3A4 (0.36) ALDH1A1MAPT
SCHEMBL21281640 0.72

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-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed