SCHEMBL16378069

SCHEMBL16378069

C[C@@H]1CCc2c(N)cc3c(c2O1)CN(N)C3=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL4572050 0.67 HPGD (0.33) HPGD
SCHEMBL10958806 0.60 HPGD (0.40) HPGDCA1CA9
SCHEMBL20958091 0.60 HPGD (0.35) HPGDCA1CA9
SCHEMBL20958104 0.57 CA1 (0.34) HPGDCA1CA9
Formamide SCHEMBL20485615 0.56 HPGD (0.37) HPGDCA1CA9
SCHEMBL5462639 0.56 HPGD (0.39) HPGDCA1CA9
SCHEMBL7396235 0.56 HTR4 (0.39) HPGD
SCHEMBL28232979 0.55 HPGD (0.38) HPGDCA1CA9
SCHEMBL12533122 0.54 CA1 (0.41) HPGDCA1CA9
SCHEMBL13520169 0.54 HPGD (0.43) HPGDCA1CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2821404-A1 CHROMAN DERIVATIVE TMS Co. Ltd. (JP) 2015-01-07 — — EP disclosed
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