SCHEMBL5507734

SCHEMBL5507734

Brc1cncc(C2NCC23CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.34
CHRNA4 P43681 8/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
POLB P06746 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL5507522 0.77
SCHEMBL5506753 0.76 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5504443 0.73 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3464349 0.70 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL29845299 0.66 POLB (0.38) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL1426303 0.66 POLB (0.38) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL3463709 0.66 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28092540 0.65 POLB (0.36) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL5506451 0.65 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18350213 0.64 CHRNB2 (0.56) CHRNB2CHRNA4POLB

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-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP claimed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO claimed
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO disclosed