SCHEMBL13812816

SCHEMBL13812816

CC1CN(c2ccc(NC(=O)c3cc(Cl)ccc3O)c(OCCc3ccccc3C(F)(F)F)c2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 9/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ MRGPRX1 Q96LB2 3/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ KCNMA1 Q12791 2/20 0.38
▸ DDX3X O00571 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36

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
SCHEMBL13812838 0.85 TMPRSS4 (0.55) TMPRSS4GRM5MRGPRX1KCNMA1KDM4E
SCHEMBL13812727 0.83 TMPRSS4 (0.51) TMPRSS4GRM5MRGPRX1KCNMA1KDM4E
SCHEMBL13812629 0.80 TMPRSS4 (0.55) TMPRSS4GRM5KCNMA1KDM4EMEN1
SCHEMBL13812687 0.79 TMPRSS4 (0.50) TMPRSS4GRM5MRGPRX1KCNMA1KDM4E
SCHEMBL13812695 0.78 KCNMA1 (0.52) TMPRSS4GRM5MRGPRX1KCNMA1KDM4E
SCHEMBL13812685 0.77 TMPRSS4 (0.65) TMPRSS4LRRK2KCNMA1KDM4EMEN1
SCHEMBL13812728 0.76 TMPRSS4 (0.50) TMPRSS4KCNMA1KDM4EMEN1GAA
SCHEMBL13812682 0.76 TMPRSS4 (0.50) TMPRSS4GRM5KCNMA1KDM4EMEN1
SCHEMBL13812730 0.74 TMPRSS4 (0.49) TMPRSS4KCNMA1MEN1USP2TP53
SCHEMBL13812729 0.74 TMPRSS4 (0.53) TMPRSS4GRM5KCNMA1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796267-B2 Oxazolidinone derivatives and methods of use CONCERT PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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