SCHEMBL6851771

SCHEMBL6851771

[CH2]CCc1cnc2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.77
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL12066225 0.87 PDE10A (1.00) PDE10AMEN1MAPTKMT2A
SCHEMBL752676 0.83 PDE10A (0.69) PDE10AMEN1MAPTKMT2A
SCHEMBL7317281 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL7317271 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL12471341 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL9971272 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL16585358 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL8408826 0.80 PDE10A (0.77) PDE10AMEN1MAPTKMT2A
SCHEMBL28237594 0.78 PDE10A (0.81) PDE10AMEN1MAPTKMT2A
SCHEMBL7071801 0.77 PDE10A (0.71) PDE10AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
CN-1069976-A Hexanaphthene and tetrahydropyran derivatives HOFFMANN LA ROCHE (CH) 1993-03-17 CN disclosed