SCHEMBL7033028

SCHEMBL7033028

CN(C)C(c1ccc([Mg]Br)cc1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33

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
SCHEMBL7034514 0.77 CHRNA7 (0.33) CHRNA7
SCHEMBL661499 0.73 TYR (0.41)
SCHEMBL7028499 0.73 PYCR1 (0.47) CHRNA7
Bromide SCHEMBL1271931 0.71 TYR (0.39)
SCHEMBL5487650 0.71
SCHEMBL9814876 0.70 CHRNA7 (0.64) CHRNA7
SCHEMBL544887 0.69 ALDH1A1 (0.58)
SCHEMBL7035638 0.69 ADRB2 (0.48) CHRNA7
SCHEMBL301685 0.69 ESR1 (0.52)
SCHEMBL3395661 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070718-B1 Method for Preparing Grignard Reagents and new Grignard Reagents BAYER AG (DE) 2003-03-05 EP disclosed
US-6296788-B1 REACTING HALOGENATED ALDEHYDE WITH SECONDARY MONOAMINE TO FORM AMINAL; METALLIZATION WITH MAGNESIUM BAYER AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed
EP-1070718-A1 Method for Preparing Grignard Reagents and new Grignard Reagents Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed