SCHEMBL13680816

SCHEMBL13680816

O=CCCc1ccc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NFE2L2 Q16236 2/20 0.34
MAOB P27338 1/20 0.33
PTK2 Q05397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PLAU P00749 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL31591297 0.80 L3MBTL1 (0.37) DAOL3MBTL1NFE2L2MAOBPTK2
SCHEMBL3882488 0.80 L3MBTL1 (0.37) DAOL3MBTL1NFE2L2MAOBPTK2
SCHEMBL13680812 0.77 ESR1 (0.42)
SCHEMBL31212506 0.77 CA12 (0.37) ADRA2AADRA2BADRA2C
SCHEMBL22151010 0.77 CA12 (0.37) ADRA2AADRA2BADRA2C
SCHEMBL13680819 0.77 DAO (0.46) DAOL3MBTL1ALDH1A1
SCHEMBL6197859 0.77 CCR1 (0.40) DAOKDM4EALDH1A1PLAUADRA2A
SCHEMBL1639271 0.77 GBA1 (0.39) KDM4ETSHRALDH1A1PLAUADRA2A
SCHEMBL27667500 0.77 DAO (0.33) DAOL3MBTL1NFE2L2MAOBKDM4E
SCHEMBL14737586 0.76 HTR1A (0.39) DAOL3MBTL1MAOBPTK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed