SCHEMBL15717693

SCHEMBL15717693

c1ccc([C@@H]2COC(c3cccc(C4N[C@H](c5ccccc5)CO4)n3)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ADRA2A P08913 3/20 0.33
▸ PRCP P42785 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL8501622 0.70 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8501615 0.70 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25152925 0.69 TSHR (0.45) TSHRMEN1KMT2APRCPSMN1; SMN2
SCHEMBL9066550 0.69 TSHR (0.45) TSHRMEN1KMT2APRCPSMN1; SMN2
SCHEMBL13244971 0.69 TSHR (0.41) TSHRMEN1KMT2APRCPSMN1; SMN2
SCHEMBL28531236 0.67 TSHR (0.42) TSHRMEN1KMT2AADRA2APRCP
SCHEMBL21465848 0.66 TSHR (0.41) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22039467 0.66 TSHR (0.41) TSHRMEN1KMT2APRCPSMN1; SMN2
SCHEMBL7623898 0.64 TSHR (0.39) TSHRMEN1KMT2AADRA1A
SCHEMBL13984664 0.62 TSHR (0.37) TSHRMEN1KMT2APRCPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920218-B1 METHOD FOR THE PRODUCTION OF OXAZOLIDINONE COMPOUNDS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2020-09-30 — — EP disclosed
US-9458281-B2 Method for the production of oxazolidinone compounds COVESTRO DEUTSCHLAND AG (DE) 2016-10-04 — — US disclosed
US-20150291726-A1 METHOD FOR THE PRODUCTION OF OXAZOLIDINONE COMPOUNDS BAYER MATERIALSCIENCE AG (DE) 2015-10-15 — — US disclosed
EP-2920218-A1 METHOD FOR THE PRODUCTION OF OXAZOLIDINONE COMPOUNDS Bayer Materialscience AG (DE) 2015-09-23 — — EP disclosed
WO-2014076024-A1 METHOD FOR THE PRODUCTION OF OXAZOLIDINONE COMPOUNDS BAYER MATERIALSCIENCE AG (DE) 2014-05-22 — — WO disclosed
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