SCHEMBL7680258

SCHEMBL7680258

CCOC(=O)C1(C2NCCc3c2[nH]c2cc(Cl)c(Cl)cc32)CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTR2A P28223 7/20 0.38
HTR2C P28335 6/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPKAPK2 P49137 5/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
Hydrochloric Acid SCHEMBL7680151 0.99 KMT2A (0.43) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7680318 0.92 KMT2A (0.41) KMT2AMEN1MAPTLMNAHTR2A
SCHEMBL7673749 0.88 KMT2A (0.56) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7683625 0.88 KMT2A (0.43) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7683795 0.87 KMT2A (0.56) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7674244 0.86 MAPKAPK2 (0.47) KMT2AHTR2AHTR2CKDM4EMAPKAPK2
SCHEMBL7673692 0.86 KMT2A (0.48) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7683347 0.85 KMT2A (0.56) KMT2AMEN1MAPTLMNAHTR2A
Hydrochloric Acid SCHEMBL7682863 0.85 KMT2A (0.43) KMT2AMEN1MAPTLMNAHTR2A
SCHEMBL7675338 0.85 HTR2A (0.55) KMT2AHTR2AHTR2CMAPKAPK2

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