SCHEMBL8458012

SCHEMBL8458012

N#Cc1ccc(C=C[C@H]2CC[C@H](CCC=CC=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.50
FBP1 P09467 1/20 0.34
MAOA P21397 4/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8458008 1.00 MAOB (0.50) MAOBFBP1MAOADRD2DRD3
SCHEMBL8452973 0.87 MAOB (0.51) MAOBFBP1MAOADRD2DRD3
SCHEMBL8452967 0.87 MAOB (0.51) MAOBFBP1MAOADRD2DRD3
SCHEMBL8450091 0.83 MAOB (0.53) MAOBFBP1MAOA
SCHEMBL8450086 0.83 MAOB (0.53) MAOBFBP1MAOA
SCHEMBL8835070 0.80 USP30 (0.41) MAOBMAOA
SCHEMBL8457344 0.80 USP30 (0.41) MAOBMAOA
SCHEMBL8457348 0.80 USP30 (0.41) MAOBMAOA
SCHEMBL8457346 0.80 USP30 (0.41) MAOBMAOA
SCHEMBL7724276 0.79 MAOB (0.53) MAOBFBP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed