SCHEMBL46635

SCHEMBL46635

C[C@@H]1CN(CC(=O)N2CCc3c(n(Cc4ccc(Cl)s4)c4ccccc34)C2)C[C@H](C)N1CC=O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.83

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
SCHEMBL14891699 0.91 ENPP2 (1.00) ENPP2
Hydrochloric Acid SCHEMBL14892251 0.90 ENPP2 (0.98) ENPP2
SCHEMBL14891611 0.82 ENPP2 (0.79) ENPP2
Hydrochloric Acid SCHEMBL14892383 0.81 ENPP2 (0.78) ENPP2
SCHEMBL14890803 0.81 ENPP2 (0.72) ENPP2
SCHEMBL14891802 0.81 ENPP2 (0.72) ENPP2
Hydrochloric Acid SCHEMBL14891210 0.80 ENPP2 (0.71) ENPP2
Hydrochloric Acid SCHEMBL14891118 0.80 ENPP2 (0.71) ENPP2
SCHEMBL14890954 0.79 ENPP2 (0.70) ENPP2
SCHEMBL12697503 0.78 ENPP2 (0.84) ENPP2

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
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 — — WO disclosed
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