SCHEMBL3828015

SCHEMBL3828015

CNc1c(C(O)C2CCN(c3ncccn3)CC2)ccc(-c2ccccc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A7 Q99884 2/20 0.37
ACHE P22303 2/20 0.36
CYP2C19 P33261 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1A P08908 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL4080097 0.85 SLC6A7 (0.40) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL3893682 0.79 KDM4E (0.40) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL3832885 0.78 HTR1A (0.41) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL3812208 0.76 ALDH1A1 (0.44) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL3828020 0.76 MEN1 (0.41) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL4228775 0.75 SLC6A7 (0.47) KDM4EALDH1A1SLC6A7
SCHEMBL4228777 0.75 SLC6A7 (0.47) KDM4EALDH1A1SLC6A7
SCHEMBL4488565 0.75 SLC6A7 (0.47) KDM4EALDH1A1SLC6A7
SCHEMBL3832888 0.73 MEN1 (0.45) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL4234602 0.69 SLC6A7 (0.50) SLC6A7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089376-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
EP-2084145-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
WO-2008067120-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008058068-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed