SCHEMBL6015752

SCHEMBL6015752

CN1CCCN(C(=O)c2cccc3[c]c[nH]c23)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
HRH4 Q9H3N8 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.42
CXCR2 P25025 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL6015770 0.95 L3MBTL1 (0.50) KMT2AHRH4L3MBTL1POLBKDM4E
SCHEMBL6015689 0.81 HRH4 (0.43) KMT2AHRH4KDM4EHPGD
SCHEMBL6016066 0.80 RXFP1 (0.52) HRH4HPGD
SCHEMBL6015774 0.80 MAPK14 (0.42) HTTPOLBKDM4EHPGD
SCHEMBL6015875 0.76 L3MBTL3 (0.61) KMT2AL3MBTL1KDM4E
SCHEMBL6015947 0.74 POLB (0.53) KMT2AHRH4POLBHPGD
SCHEMBL14818758 0.73 HTT (0.84) KMT2AHRH4L3MBTL1HTTPOLB
SCHEMBL8291050 0.72 KEAP1 (0.54) KMT2AHRH4L3MBTL1HPGD
SCHEMBL10722273 0.71 L3MBTL1 (0.74) KMT2AL3MBTL1HTTPOLBKDM4E
SCHEMBL15966084 0.70 KMT2A (0.68) KMT2AHRH4L3MBTL1HTTPOLB

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