SCHEMBL7544166

SCHEMBL7544166

C=CCN1CNc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
ALDH1A1 P00352 5/20 0.39
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4E B2RXH2 3/20 0.36
BRPF1 P55201 1/20 0.36
PRCP P42785 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9316153 0.84 GAA (0.39) GAAALDH1A1GRIA1GRIA2GRIA3
SCHEMBL8039565 0.84 BRPF1 (0.39) GAABRPF1EPHX2KMT2AMEN1
SCHEMBL8756210 0.82 KMT2A (0.43) GAAALDH1A1GRIA1GRIA2GRIA3
SCHEMBL29169523 0.80 GAA (0.31) GAABRPF1EPHX2
SCHEMBL6450576 0.80 BRPF1 (0.44) GAAALDH1A1ADRA1AKDM4EBRPF1
SCHEMBL1645852 0.77 BRPF1 (0.38) GAAALDH1A1BRPF1EPHX2KMT2A
SCHEMBL9868798 0.77 GRIA2 (0.44) GAAALDH1A1GRIA2BRPF1EPHX2
SCHEMBL6690571 0.76 BRPF1 (0.35) GAABRPF1EPHX2KMT2AMEN1
SCHEMBL8469492 0.76 GRIA2 (0.43) GAAALDH1A1GRIA1GRIA2GRIA3
SCHEMBL8523950 0.76 GRIA2 (0.37) GAAALDH1A1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202985-A2 CHEMOKINE RECEPTOR ANTAGONISTS Millennium Pharmaceuticals, Inc. (US) 2002-05-08 EP disclosed
WO-2001009119-A2 CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-1049700-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-11-08 EP disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP disclosed
EP-0262343-A2 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-04-06 EP disclosed