SCHEMBL2722706

SCHEMBL2722706

N#Cc1ccc2c(c1)OC=CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDM1A O60341 2/20 0.34
CYP2A6 P11509 1/20 0.33
TRPA1 O75762 1/20 0.33
RIPK1 Q13546 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM1 P11229 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE1A P54750 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8612336 0.86 PNMT (0.39) PNMTDRD2DRD3KDM1ACYP2A6
SCHEMBL2003995 0.82
SCHEMBL6917418 0.72 CYP1A2 (0.31) CYP2A6
SCHEMBL2011445 0.72
SCHEMBL547264 0.72 ESR2 (0.46) DRD2DRD3
SCHEMBL31472129 0.72 LMNA (0.41) PNMT
SCHEMBL5644783 0.72 CA1 (0.31) PDE3A
SCHEMBL11022031 0.69 PNMT (0.43) PNMTDRD2DRD3KDM1ACYP2A6
Water SCHEMBL1552056 0.69 MAOA (0.39)
Water SCHEMBL693215 0.69 MAOA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638026-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
EP-2638025-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO disclosed