SCHEMBL10853093

SCHEMBL10853093

O=C(CCN1CCNCC1)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 2/20 0.71
▸ BCHE P06276 5/20 0.60
▸ ACHE P22303 3/20 0.60
▸ APP P05067 1/20 0.53

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
SCHEMBL10854688 0.93 NME2 (0.82) NME2BCHEACHE
SCHEMBL10854492 0.92 NME2 (0.81) NME2BCHEACHE
SCHEMBL10854803 0.92 NME2 (0.59) NME2BCHEACHEAPP
SCHEMBL10855911 0.91 NME2 (0.72) NME2BCHEACHEAPP
SCHEMBL10852465 0.90 NME2 (0.71) NME2BCHEACHEAPP
SCHEMBL10854899 0.90 NME2 (0.71) NME2BCHEACHEAPP
SCHEMBL10858731 0.87 NME2 (0.66) NME2BCHEACHEAPP
SCHEMBL10858737 0.87 NME2 (0.66) NME2BCHEACHEAPP
SCHEMBL10856949 0.87 NME2 (0.66) NME2BCHEACHE
SCHEMBL10856159 0.85 NME2 (0.64) NME2BCHEACHEAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 — — US disclosed
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