SCHEMBL6658558

SCHEMBL6658558

CCSc1cncc(C=CCCN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL7100925 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6663163 0.81 RAF1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6658560 0.80 AAK1 (0.33) HTR2CSLC6A4
SCHEMBL6664107 0.79 AKT1 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7100885 0.77 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7099273 0.77 TBXAS1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7099269 0.77 TBXAS1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7098331 0.75 HTR2C (0.39) HTR2CSLC6A4
SCHEMBL5199165 0.73 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL618688 0.69 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973743-B1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS TARGACEPT INC (US) 2004-08-25 EP disclosed
US-6531606-B1 Nicotinic compound: N-methyl-4-(3-(5-phenylpyridin)yl)-3-buten-1-amine; capable of affecting nicotinic chlorinergic receptors TARGACEPT, INC. 2003-03-11 US disclosed
US-6274606-B1 ADMINISTERING COMPOUNDS SUCH AS (E)-N-METHYL-4-(3-(5-ISO PROPOXYPYRIDIN)YL)-3-BUTEN-1-AMINE TO TREAT PARKINSON'S DISEASE, TOURETTE'S SYNDROME, ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA, AND ALZHEIMER'S DISEASE TARGACEPT, INC. 2001-08-14 US disclosed
US-5861423-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER*S AND PARKINSON*S DISEASE; ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA TARGACEPT, INC., A CORPORATION OF DELAWARE 1999-01-19 US disclosed
US-5811442-A ADMINISTERING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUND IN AN AMOUNT SUFFICIENT TO SELECTIVELY BIND TO AND AFFECT NICOTINIC CHOLINERGIC RECEPTOR SUBTYPES CONTAINING BETA2 SUBUNITS TARGACEPT, INC. 1998-09-22 US disclosed