SCHEMBL16239555

SCHEMBL16239555

CN(C(=O)O)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.75

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
SCHEMBL10277163 0.86 TACR3 (1.00) TACR3
SCHEMBL16239590 0.86 TACR3 (0.72) TACR3
SCHEMBL16239560 0.82 TACR3 (0.77) TACR3
SCHEMBL16239760 0.81 TACR3 (0.72) TACR3
SCHEMBL16239532 0.78 TACR3 (0.78) TACR3
SCHEMBL16239854 0.78 TACR3 (0.73) TACR3
SCHEMBL326693 0.77 TACR3 (1.00) TACR3
SCHEMBL10026141 0.77 TACR3 (1.00) TACR3
SCHEMBL16239929 0.75 TACR3 (0.75) TACR3
SCHEMBL16240047 0.74 TACR3 (0.76) 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