SCHEMBL9130530

SCHEMBL9130530

CCCC(N)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
SLC6A2 P23975 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
BCHE P06276 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CSNK1E P49674 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL8641403 0.88 SIGMAR1 (0.45) AOC3TSHRALDH1A1SIGMAR1BCHE
SCHEMBL3203375 0.84 AOC3 (0.48) AOC3TSHRALDH1A1TP53SLC6A2
SCHEMBL3061994 0.83 SLC6A2 (0.50) AOC3TSHRALDH1A1SLC6A2TAAR1
SCHEMBL5312674 0.81 ALDH1A1 (0.43) AOC3TSHRALDH1A1SIGMAR1BCHE
SCHEMBL18079510 0.78 BCHE (0.51) AOC3TSHRALDH1A1TP53SLC6A2
SCHEMBL27842333 0.78 EPHX1 (0.54) AOC3TSHRALDH1A1SLC6A2TAAR1
SCHEMBL18510053 0.78 TAS1R3 (0.40) ALDH1A1
SCHEMBL16390836 0.78 CSNK1E (0.48) AOC3TSHRALDH1A1SIGMAR1CSNK1E
SCHEMBL7050937 0.77 TSHR (0.48) AOC3TSHRALDH1A1TP53SLC6A2
SCHEMBL8108561 0.77 TSHR (0.43) AOC3TSHRALDH1A1TP53SLC6A2

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
US-5422355-A Also for treating memory impairment, dementia or cerebral insufficiency JOHN WYETH & BROTHER, LIMITED (GB) 1995-06-06 US disclosed
EP-0407032-B1 Aromatic and heteroaromatic amines for treating depressions, cerebral insufficiency disorders or dementia WYETH JOHN & BROTHER LTD (GB) 1994-11-09 EP disclosed
US-5260331-A Selective gamma aminobutyric acid autoreceptors; treatment of dementia JOHN WYETH & BROTHER LIMITED (GB) 1993-11-09 US disclosed
US-5086073-A Brain disorders JOHN WYETH & BROTHER LIMITED (GB) 1992-02-04 US disclosed
EP-0407032-A2 Aromatic and heteroaromatic amines for treating depressions, cerebral insufficiency disorders or dementia JOHN WYETH & BROTHER LIMITED (GB) 1991-01-09 EP disclosed