SCHEMBL6015774

SCHEMBL6015774

O=C(c1cccc2[c]c[nH]c12)N1CCN(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
POLB P06746 2/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1D P28221 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL6015689 0.86 HRH4 (0.43) MAPK14ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6015770 0.84 L3MBTL1 (0.50) ALDH1A1POLBKDM4ETP53HPGD
SCHEMBL6016066 0.80 RXFP1 (0.52) SIGMAR1HPGDPARP1HRH3
SCHEMBL6015752 0.80 KMT2A (0.55) POLBHTTKDM4EHPGD
SCHEMBL6015694 0.74 ALDH1A1 (0.49) MAPK14ALDH1A1POLBHTTHPGD
SCHEMBL6015875 0.73 L3MBTL3 (0.61) ALDH1A1KDM4EHRH3
SCHEMBL1193483 0.72 MEN1 (0.63) ALDH1A1POLBHTTGAAKDM4E
SCHEMBL6015695 0.71 DRD2 (0.47) ALDH1A1HTR2APOLBDRD4HTT
SCHEMBL2377343 0.70 FNTA (0.47) ALDH1A1POLBHTTGAAKDM4E
SCHEMBL29335990 0.70 MAPK14 (0.73) MAPK14ALDH1A1POLBHTTGAA

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
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN 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