SCHEMBL4621952

SCHEMBL4621952

CN(C)C(=O)CC1CCc2cc(OCc3ccc(Br)cc3)ccc2C1.O=C(O)CC1CCc2cc(OCc3ccc(Br)cc3)ccc2C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.64
ITGA2B P08514 3/20 0.64
FFAR1 O14842 3/20 0.55
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
BACE1 P56817 1/20 0.44
CYP26A1 O43174 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 5/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
MCHR1 Q99705 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL4623612 0.96 ITGB3 (0.57) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4623073 0.92 ITGB3 (0.74) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL1567864 0.86 BACE1 (0.59) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7349921 0.83 ITGB3 (0.58) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL3450818 0.81 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL3451880 0.81 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4623151 0.80 MCHR1 (0.49) ITGB3ITGA2BFFAR1BACE1CYP26A1
SCHEMBL4623199 0.79 BACE1 (0.51) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4622569 0.78 CA1 (0.59) ITGB3ITGA2BCYP26A1MCHR1
SCHEMBL4622244 0.78 ITGB3 (0.68) ITGB3ITGA2BFFAR1RXRARXRB

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-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed