SCHEMBL6015969

SCHEMBL6015969

CC(=O)OCCCCn1c[c]c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CNR1 P21554 7/20 0.36
MTNR1A P48039 1/20 0.35
ADORA2B P29275 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL6016000 0.74 CYP1A2 (0.33) CNR2CNR1MTNR1AKDM4ECYP1A2
SCHEMBL6087986 0.73 CNR1 (0.44) CNR2CDK2CNR1ALDH1A1
SCHEMBL6015666 0.72 PTGS2 (0.38) MTNR1AKDM4EMEN1CYP1A2KMT2A
SCHEMBL18227838 0.71 HTR6 (0.45) KDM4E
SCHEMBL6015686 0.69 USP2 (0.35)
SCHEMBL14578720 0.68 MTNR1A (0.64) CNR2CNR1MTNR1AADORA2BALDH1A1
SCHEMBL2980811 0.66 FEN1 (0.34) CDK2KDM4EELANE
SCHEMBL6229846 0.64 ALDH1A1 (0.39) KDM4ECYP1A2ALDH1A1ELANE
SCHEMBL1638732 0.63 L3MBTL1 (0.52) CNR2CNR1ADORA2BMEN1KMT2A
SCHEMBL4020080 0.62 MEN1 (0.48) ADORA2BMEN1KMT2A

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
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