SCHEMBL6015740

SCHEMBL6015740

CN1CCCC1CCOc1ccc2[c]c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR1A P08908 2/20 0.42
HTR1B P28222 2/20 0.42
SLC2A1 P11166 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 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
SCHEMBL22510178 0.81 HRH3 (0.55) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6015805 0.78 LTA4H (0.56) HRH3
SCHEMBL6015872 0.77 LTA4H (0.55) HRH3
SCHEMBL6016063 0.77 LTA4H (0.55) HRH3
SCHEMBL14578202 0.76 CHRNB4 (0.65) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6016024 0.74 MAOA (0.36) HTR1AHTR1B
SCHEMBL14577979 0.74 SLC2A1 (0.53) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11448416 0.74 LMNA (0.58) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11450541 0.73 SLC2A1 (0.50) HRH3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14578201 0.73 CHRNB4 (0.62) HRH3CHRNB4CHRNA3CHRNB2CHRNA4

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