SCHEMBL8108210

SCHEMBL8108210

O=C1CCN(CCCCC(CCCCCOCc2ccccc2)(OCc2ccccc2)N2CCC(=O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.43
LTA4H P09960 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY1R P25929 1/20 0.39
BCHE P06276 3/20 0.39
PKM P14618 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8108123 0.97 TEAD3 (0.44) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL8114393 0.91 TEAD3 (0.42) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL6941768 0.86 TEAD3 (0.54) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL8108207 0.86 TEAD3 (0.54) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL6941703 0.86 TEAD3 (0.54) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL8109617 0.86 TEAD3 (0.54) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL6944485 0.85 TEAD3 (0.55) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL8108121 0.85 TEAD3 (0.55) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL3891265 0.81 TEAD3 (0.60) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL7246438 0.81 TEAD3 (0.60) TEAD3LTA4HMEN1GAAKMT2A

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-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed