SCHEMBL3629314

SCHEMBL3629314

CC(C)(C(=O)O)N1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.58
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
BACE1 P56817 2/20 0.56
PHGDH O43175 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MCHR1 Q99705 5/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC2A1 P11166 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CYP2D6 P10635 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL2804476 0.89 TEAD1 (0.56) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL4569598 0.88 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802531 0.87 TEAD1 (0.54) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802000 0.86 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802651 0.85 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3631495 0.84 TEAD1 (0.52) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL4838899 0.81 BCHE (0.61) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3457225 0.81 TEAD1 (0.61) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3456705 0.79 ACHE (0.65) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3457662 0.78 BCHE (0.57) TEAD1BCHEACHEBACE1PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155225-A1 METHODS OF TREATMENT OF SKIN ULCERS The Trustees of the University of Pennsylvania (US) 2010-02-24 EP disclosed
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
EP-2083625-A2 BICYCLIC HETEROAROMATIC COMPOUNDS Glaxo Group Limited (GB) 2009-08-05 EP disclosed
EP-2081915-A2 BICYCLIC HETEROAROMATIC COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008141176-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-11-20 WO disclosed
WO-2008048867-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed