SCHEMBL7677783

SCHEMBL7677783

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2ccc(OC)cc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.52
ABCB1 P08183 7/20 0.52
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
KIF11 P52732 2/20 0.45
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42

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
SCHEMBL7680379 0.94 MAPT (0.51) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7677069 0.91 MEN1 (0.49) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7681633 0.90 MEN1 (0.48) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7852589 0.90 ABCG2 (0.55) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7683791 0.87 SIRT1 (0.56) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL7674484 0.87 KMT2A (0.47) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7679575 0.85 MAPT (0.46) ABCG2ABCB1MAPTTP53SMN1; SMN2
SCHEMBL7693228 0.85 MEN1 (0.48) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL7681030 0.84 MAPKAPK2 (0.52) ABCG2MAPTTP53SMN1; SMN2KMT2A
SCHEMBL7680371 0.84 KMT2A (0.47) MAPTTP53SMN1; SMN2KMT2AMEN1

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
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed