SCHEMBL6015665

SCHEMBL6015665

CN1CCN(CCCNC(=O)Cn2c[c]c3cccnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.48
OPRM1 P35372 2/20 0.47
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
SHMT2 P34897 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6015651 0.82 KDM4E (0.49) KDM4EHSD17B10KMT2AMAPK1ALDH1A1
SCHEMBL6015693 0.82 ALDH1A1 (0.41) TP53ALDH1A1
SCHEMBL6015675 0.74 TDP1 (0.46) KMT2AMEN1
SCHEMBL6015666 0.71 PTGS2 (0.38) KDM4EKMT2ASHMT2TP53MEN1
SCHEMBL1777574 0.71 RIPK1 (0.47) OPRK1OPRM1KDM4EHSD17B10KMT2A
SCHEMBL6016081 0.70 TSHR (0.52) KDM4EHSD17B10KMT2AMAPK1TP53
SCHEMBL6015620 0.67 HTT (0.50) KDM4EKMT2AMAPK1MEN1
SCHEMBL6015703 0.67 REN (0.39) KMT2A
SCHEMBL6016000 0.65 CYP1A2 (0.33) OPRM1KDM4EALDH1A1
SCHEMBL5570062 0.65 TP53 (0.60) KDM4EHSD17B10KMT2ATP53MEN1

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