SCHEMBL7544820

SCHEMBL7544820

c1cncc(COCC2CCCN2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.60
CHRNA4 P43681 5/20 0.60
CHRM2 P08172 3/20 0.60
CHRM1 P11229 3/20 0.60
CHRM3 P20309 3/20 0.60
CHRNA3 P32297 5/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA7 P36544 3/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRND Q07001 1/20 0.49
LTA4H P09960 2/20 0.46

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
SCHEMBL7544823 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7552821 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7552178 0.90 CHRNB2 (0.64) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7544724 0.90 CHRNB2 (0.64) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7544730 0.90 CHRNB2 (0.64) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL3330017 0.82 LTA4H (0.60) CHRNA3CHRNB4LTA4H
SCHEMBL12487100 0.82 LTA4H (0.60) CHRNA3CHRNB4LTA4H
SCHEMBL4663020 0.82 LTA4H (0.60) CHRNA3CHRNB4LTA4H
SCHEMBL2981954 0.81 POLB (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL3552773 0.80 POLB (0.57) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 WO disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 WO disclosed