SCHEMBL8074559

SCHEMBL8074559

CCc1ccc(C(Br)c2ccc(F)cc2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DAO P14920 1/20 0.32
AOC3 Q16853 1/20 0.32
METAP2 P50579 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8064216 0.79 NR3C1 (0.40) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL4427290 0.76 IDO1 (0.46) LMNAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8024132 0.75 ALOX15 (0.36) LMNAMAPTALOX15SLC6A2SLC6A3
SCHEMBL3667517 0.74 IDO1 (0.40) LMNAHTTMAPTKDM4ETP53
SCHEMBL8078157 0.70 CES2 (0.37) LMNAALDH1A1ALOX15SLC6A2SLC6A4
SCHEMBL11436873 0.70 ALOX15 (0.39) ALDH1A1ALOX15MAPK1HSD17B10SLC6A4
SCHEMBL7081445 0.70 LMNA (0.41) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL8064415 0.69 CYP3A4 (0.42) MAPTSLC6A2SLC6A4SLC6A3PKM
SCHEMBL6816674 0.69 F2 (0.34) KDM4EALOX15MAPK1SLC6A4
SCHEMBL8077592 0.68 CES2 (0.44) LMNAMAPTSLC6A2SLC6A4MEN1

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
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed