SCHEMBL16239794

SCHEMBL16239794

CN(C(=O)O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.71
RORC P51449 2/20 0.39

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
SCHEMBL16239848 0.87 TACR3 (0.71) TACR3RORC
SCHEMBL16239673 0.84 TACR3 (0.73) TACR3RORC
SCHEMBL16239922 0.84 TACR3 (0.73) TACR3RORC
SCHEMBL10277231 0.83 TACR3 (1.00) TACR3
SCHEMBL16239792 0.83 TACR3 (0.73) TACR3RORC
SCHEMBL16239483 0.82 TACR3 (0.74) TACR3
SCHEMBL16239850 0.81 TACR3 (0.75) TACR3RORC
SCHEMBL16239884 0.80 TACR3 (0.75) TACR3
SCHEMBL16239485 0.79 TACR3 (0.80) TACR3
SCHEMBL16239566 0.78 TACR3 (0.77) TACR3

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-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed