SCHEMBL19496728

SCHEMBL19496728

CN(C)Cc1cccc(-c2ccc(N3CCOCC3)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 10/20 0.52
▸ RPS6KA3 P51812 1/20 0.44
▸ CALML3 P27482 1/20 0.43
▸ AGXT P21549 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL19496971 0.86 AOC3 (0.52) AOC3AGXTHTR7PIK3CAMTOR
SCHEMBL11368336 0.85 AOC3 (0.76) AOC3
SCHEMBL29789879 0.81 WDR5 (0.56) ADRA2AADRA2BADRA2CTMEM97SIGMAR1
SCHEMBL11356490 0.78 AOC3 (0.55) AOC3
SCHEMBL19496908 0.73 AOC3 (0.52) AOC3PIK3CA
SCHEMBL13940125 0.73 MAPT (0.50) AOC3CYP1A2
SCHEMBL11368318 0.72 AOC3 (0.76) AOC3
SCHEMBL29789777 0.72 WDR5 (0.54) CALML3
SCHEMBL19496954 0.70 AOC3 (0.56) AOC3
SCHEMBL30854969 0.70 KDM4E (0.45) AOC3AGXT

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
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
Send feedback