SCHEMBL7027896

SCHEMBL7027896

CC1=CC(=CCc2ccccc2)[C]=C1C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.30
MAOB P27338 1/20 0.30
S100A4 P26447 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
SCHEMBL7597591 0.83
SCHEMBL7025553 0.74 HTR2A (0.33) HTR2AMAOB
SCHEMBL7025556 0.74 HTR2A (0.33) HTR2AMAOB
SCHEMBL7030170 0.68 POLB (0.34) HTR2A
SCHEMBL7594417 0.68 MEN1 (0.31)
SCHEMBL6004246 0.66 HSD11B1 (0.33)
SCHEMBL15956660 0.60 MAOB (0.44) HTR2AMAOB
Hydrochloric Acid SCHEMBL8390027 0.60 HTR2A (0.34) HTR2AMAOB
SCHEMBL2838330 0.59 MAOB (0.39) MAOB
SCHEMBL1306041 0.58 MAOB (0.57) HTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889059-B1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 2003-02-12 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed
EP-0889059-A1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 1999-01-07 EP disclosed