SCHEMBL17892096

SCHEMBL17892096

CCOC(=O)C(c1ccc(Br)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP4 P27487 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
FPR2 P25090 4/20 0.45
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP13 P45452 2/20 0.43
FPR3 P25089 2/20 0.43
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
AEBP2 Q6ZN18 1/20 0.43

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
SCHEMBL17892077 0.87 NPC1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL17892073 0.87 NPC1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL27769045 0.86 MMP13 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL17892067 0.86 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL17892126 0.86 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31292899 0.83 DPP4 (0.47) MAPK1DPP4GPR119FPR2MEN1
SCHEMBL4244525 0.83 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4239889 0.83 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL18321535 0.83 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4240647 0.83 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT

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-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed