SCHEMBL7680225

SCHEMBL7680225

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccnc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
TP53 P04637 2/20 0.41
KIF11 P52732 8/20 0.41
SIRT1 Q96EB6 1/20 0.41
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL7851671 0.89 HTR2A (0.45) MAPTLMNAHTR2AHTR2CTP53
SCHEMBL7679575 0.88 MAPT (0.46) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7684013 0.84 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7683791 0.83 SIRT1 (0.56) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7693228 0.83 MEN1 (0.48) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7681633 0.83 MEN1 (0.48) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7677069 0.81 MEN1 (0.49) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7683312 0.81 MEN1 (0.46) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7683286 0.81 DHODH (0.49) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7680379 0.81 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E

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