SCHEMBL7210259

SCHEMBL7210259

CC(C)([NH])CCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
KCNH2 Q12809 4/20 0.46
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
AOC3 Q16853 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
S1PR1 P21453 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1754092 0.82 TAAR1 (0.50) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL11540157 0.78 TAAR1 (0.47) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL7210260 0.78 TAAR1 (0.52) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL3934371 0.77 IDO1 (0.42) TAAR1AOC3IDO1LOXL2
SCHEMBL7212578 0.77 CYP2D6 (0.45) TAAR1AOC3MAOBLOXL2
SCHEMBL19574973 0.77 TAAR1 (0.45) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL24143907 0.75 KCNH2 (0.44) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL28100815 0.75 KCNH2 (0.48) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL19312085 0.75 S1PR1 (0.50) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL4047436 0.75 TAAR1 (0.52) TAAR1KCNH2TMEM97SIGMAR1AOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed