SCHEMBL6015677

SCHEMBL6015677

COC(C)CCOc1cccc2[c]c[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
IDO1 P14902 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6015843 0.81 HPGD (0.37) MCHR1HTR1B
SCHEMBL6015642 0.80
SCHEMBL6015979 0.80 SMN1; SMN2 (0.39) HTT
SCHEMBL6015792 0.78
SCHEMBL6015713 0.77 IDO1 (0.39) IDO1HTR1BHTT
SCHEMBL7289074 0.76 DAO (0.41) HTT
SCHEMBL1966772 0.74 CA1 (0.39) HTT
SCHEMBL6015893 0.72
SCHEMBL9740826 0.71 ABCB1 (0.47) IDO1HTR1A
SCHEMBL6015858 0.70 TDP1 (0.33) HTR1AHTR1B

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