SCHEMBL19496853

SCHEMBL19496853

CC(=O)N1CCN(c2ccc(-c3cccc(CN(C)C)c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 6/20 0.60
▸ RORC P51449 6/20 0.53
▸ GFER P55789 3/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RORB Q92753 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CYP17A1 P05093 1/20 0.47
▸ CYP21A2 P08686 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47

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
SCHEMBL11360994 0.87 AOC3 (0.82) AOC3
SCHEMBL19496954 0.82 AOC3 (0.56) AOC3GFERGAAMAPTSMN1; SMN2
SCHEMBL11358153 0.79 AOC3 (0.58) AOC3
SCHEMBL11364570 0.76 AOC3 (0.79) AOC3
SCHEMBL11359440 0.75 AOC3 (1.00) AOC3
SCHEMBL19496753 0.74 AOC3 (0.79) AOC3
SCHEMBL19496789 0.74 AOC3 (0.76) AOC3
SCHEMBL11364522 0.74 AOC3 (0.84) AOC3
SCHEMBL19496790 0.73 AOC3 (0.62) AOC3MAPT
SCHEMBL19496723 0.72 AOC3 (0.52) AOC3MAPTSMN1; SMN2WNT3A

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
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