SCHEMBL3631495

SCHEMBL3631495

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.52
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
PHGDH O43175 1/20 0.42
EPHX2 P34913 4/20 0.40
SLC6A5 Q9Y345 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SMO Q99835 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL2802000 0.90 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802651 0.89 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2804476 0.89 TEAD1 (0.56) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802531 0.87 TEAD1 (0.54) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3629314 0.84 TEAD1 (0.58) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL13439595 0.78 ACHE (0.46) TEAD1BCHEACHEBACE1DRD4
SCHEMBL2806279 0.78 BCHE (0.52) TEAD1BCHEACHEBACE1EPHX2
SCHEMBL4569598 0.78 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2808223 0.77 BCHE (0.51) TEAD1BCHEACHEBACE1EPHX2
SCHEMBL3457225 0.77 TEAD1 (0.61) 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 5 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
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