SCHEMBL6015689

SCHEMBL6015689

CCN1CCN(C(=O)c2cccc3[c]c[nH]c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 2/20 0.41
MAPK14 Q16539 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CNR1 P21554 2/20 0.40
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL6015774 0.86 MAPK14 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL6015770 0.85 L3MBTL1 (0.50) HRH4KDM4EALDH1A1HPGDKMT2A
SCHEMBL6016066 0.81 RXFP1 (0.52) HRH4HPGDHRH3PARP1
SCHEMBL6015752 0.81 KMT2A (0.55) HRH4KDM4EHPGDKMT2A
SCHEMBL6015875 0.74 L3MBTL3 (0.61) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL6015819 0.73 ALDH1A1 (0.48) HRH4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14899243 0.72 HTT (0.71) ALDH1A1HPGDHSD17B10HSD11B1MAPK14
SCHEMBL12333385 0.72 HRH4 (0.55) HRH4KDM4EALDH1A1HSD11B1HRH3
Fluorobenzene SCHEMBL27579044 0.72 HRH4 (0.49) HRH4MAPK14MEN1KMT2A
SCHEMBL10520056 0.71 HSD11B1 (0.46) HRH4KDM4EALDH1A1HSD17B10HSD11B1

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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed