SCHEMBL20477646

SCHEMBL20477646

CC1(C)C(CC(=O)N2CCc3c(n(Cc4cc(F)cc(F)c4)c4ncccc34)C2)CC[C@@]1(C)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.80

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
SCHEMBL14891159 1.00 ENPP2 (0.80) ENPP2
SCHEMBL14891890 0.94 ENPP2 (0.81) ENPP2
SCHEMBL14891774 0.94 ENPP2 (0.81) ENPP2
SCHEMBL10163686 0.93 ENPP2 (0.85) ENPP2
SCHEMBL14891141 0.91 ENPP2 (0.88) ENPP2
SCHEMBL14890514 0.89 ENPP2 (0.85) ENPP2
SCHEMBL14891978 0.89 ENPP2 (0.89) ENPP2
SCHEMBL46826 0.89 ENPP2 (1.00) ENPP2
SCHEMBL14891061 0.89 ENPP2 (0.78) ENPP2
SCHEMBL14891796 0.89 ENPP2 (0.65) 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
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 EP disclosed