SCHEMBL18575655

SCHEMBL18575655

C[C@H]1CC[C@H](CC(=O)N2CCc3c(n(Cc4ccc(Cl)cc4)c4ncccc34)C2)CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 20/20 0.78

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
SCHEMBL46601 0.91 ENPP2 (0.79) ENPP2
SCHEMBL14891333 0.91 ENPP2 (0.79) ENPP2
Bicarbonate SCHEMBL17907597 0.89 ENPP2 (0.71) ENPP2
Bicarbonate SCHEMBL17907819 0.89 ENPP2 (0.71) ENPP2
SCHEMBL14891212 0.88 ENPP2 (1.00) ENPP2
SCHEMBL46345 0.88 ENPP2 (1.00) ENPP2
SCHEMBL18597292 0.88 ENPP2 (0.70) ENPP2
Bicarbonate SCHEMBL17907845 0.87 ENPP2 (0.70) ENPP2
Bicarbonate SCHEMBL17907769 0.87 ENPP2 (0.70) ENPP2
SCHEMBL14891954 0.84 ENPP2 (0.77) 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-2592081-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2017-03-08 — — EP claimed
Send feedback