SCHEMBL17907782

SCHEMBL17907782

C[C@]1(C(=O)O)CC[C@H](CC(=O)N2CCc3c(n(Cc4cccc(C(F)F)c4)c4ncccc34)C2)CC1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.76

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
SCHEMBL15418032 1.00 ENPP2 (0.76) ENPP2
SCHEMBL14891810 0.91 ENPP2 (0.84) ENPP2
SCHEMBL12697564 0.91 ENPP2 (0.84) ENPP2
SCHEMBL20477653 0.91 ENPP2 (0.84) ENPP2
SCHEMBL20477654 0.89 ENPP2 (0.86) ENPP2
SCHEMBL14891427 0.89 ENPP2 (0.86) ENPP2
SCHEMBL14892279 0.89 ENPP2 (0.86) ENPP2
Bicarbonate SCHEMBL17907784 0.89 ENPP2 (0.69) ENPP2
Bicarbonate SCHEMBL17907822 0.89 ENPP2 (0.68) ENPP2
SCHEMBL17907717 0.89 ENPP2 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP claimed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed