SCHEMBL7549408

SCHEMBL7549408

Cc1ccc(C=CCC(C)N(C)C(=O)OC(C)(C)C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.41
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7549401 1.00 AAK1 (0.41) AAK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7549459 0.83 AAK1 (0.39) AAK1ALDH1A1
SCHEMBL7549447 0.83 AAK1 (0.39) AAK1ALDH1A1
SCHEMBL7547697 0.82 GRIK1 (0.45) AAK1GRIK1GRIK2
SCHEMBL7547700 0.82 GRIK1 (0.45) AAK1GRIK1GRIK2
SCHEMBL7554007 0.82 GRIK1 (0.45) AAK1GRIK1GRIK2
SCHEMBL3011552 0.81 AAK1 (0.36) AAK1
SCHEMBL3011557 0.81 AAK1 (0.36) AAK1
SCHEMBL7099305 0.79 AAK1 (0.37) AAK1ALDH1A1
SCHEMBL7550970 0.79 PIN1 (0.40) AAK1NR1H4

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-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed