SCHEMBL3900675

SCHEMBL3900675

CC1(C)COC(CCCCl)(c2ccc(Br)cc2)OC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL3395753 0.85 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL10976001 0.84 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL1594054 0.84 PKM (0.34) SIRT2
SCHEMBL3394435 0.82 ICMT (0.32) GRIN1GRIN2B
SCHEMBL11243462 0.82 CHRNA1 (0.34) GRIN1GRIN2B
SCHEMBL11248890 0.82 ABCB11 (0.37) GRIN1GRIN2B
SCHEMBL11231723 0.80 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL28604606 0.79 TAAR1 (0.39) TAAR1
SCHEMBL11244135 0.78 GRIN1 (0.44) GRIN1GRIN2B
SCHEMBL11241229 0.76 CHRNA1 (0.36)

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed