SCHEMBL3825569

SCHEMBL3825569

OCc1c[nH]nc1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL9182082 0.83 TSHR (0.30) TSHR
SCHEMBL9185329 0.82 AKR1B1 (0.41)
SCHEMBL11202722 0.80 IDO1 (0.38)
SCHEMBL9181769 0.79 LMNA (0.36)
SCHEMBL3825796 0.78 MEN1 (0.31) TSHR
SCHEMBL7454500 0.77 ALDH1A1 (0.32)
SCHEMBL7455345 0.75 MEN1 (0.37)
SCHEMBL9184390 0.75 CYP1A2 (0.36)
SCHEMBL15286577 0.74 ALDH1A1 (0.41)
SCHEMBL9180692 0.74 CYP1A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
EP-2099452-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING Mallinckrodt Inc. (US) 2009-09-16 EP disclosed
WO-2008061792-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT INC. (US) 2008-05-29 WO disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed
EP-0091130-A2 Cephalosporin derivatives, process for preparing and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1983-10-12 EP disclosed