SCHEMBL6015798

SCHEMBL6015798

O=C(CN1CCC(N2CCCCC2)CC1)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
L3MBTL3 Q96JM7 7/20 0.42
MBTD1 Q05BQ5 6/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 2/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
ALOX12 P18054 1/20 0.40
GLA P06280 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
SCHEMBL6015942 0.83 L3MBTL3 (0.61) ALDH1A1KDM4EL3MBTL3MBTD1L3MBTL1
SCHEMBL6015967 0.78 L3MBTL3 (0.50) ALDH1A1L3MBTL3MBTD1L3MBTL1MEN1
SCHEMBL6015766 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL1461431 0.74 HRH3 (0.55) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL6015762 0.73 HTR3A (0.41) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL6015753 0.72 PDE3B (0.58) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6015678 0.70 HTR3A (0.56) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL1461819 0.69 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL6015931 0.68 KMT2A (0.54) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL11968885 0.68 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHPGDL3MBTL3

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