SCHEMBL6015968

SCHEMBL6015968

CCOC(CCNCc1ccc2[c]c[nH]c2c1)OCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
EPHX1 P07099 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL6015672 0.78 EPHX1 (0.33) EPHX1
SCHEMBL6016005 0.78 L3MBTL1 (0.44)
SCHEMBL6015701 0.78 SMN1; SMN2 (0.42)
SCHEMBL6016037 0.76 HDAC6 (0.39)
SCHEMBL6015645 0.73 TERT (0.44)
SCHEMBL18259979 0.71 CHRM2 (0.51) S1PR2S1PR4S1PR1S1PR3
SCHEMBL3193069 0.70 MEN1 (0.53)
SCHEMBL6015670 0.68 EPHX1 (0.32) EPHX1
SCHEMBL17423817 0.64
SCHEMBL6346133 0.64 MAOA (0.33)

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 2 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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed