SCHEMBL16239682

SCHEMBL16239682

CN(C(=O)O)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)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
SCHEMBL16240047 0.88 TACR3 (0.76) TACR3
SCHEMBL16239560 0.88 TACR3 (0.77) TACR3
SCHEMBL16239986 0.86 TACR3 (1.00) TACR3
SCHEMBL10277547 0.86 TACR3 (1.00) TACR3
SCHEMBL16239790 0.82 TACR3 (0.71) TACR3
SCHEMBL16239590 0.82 TACR3 (0.72) TACR3
SCHEMBL16240082 0.81 TACR3 (0.71) TACR3
SCHEMBL16239710 0.81 TACR3 (0.74) TACR3
SCHEMBL16239680 0.81 TACR3 (0.70) TACR3
SCHEMBL16239637 0.80 TACR3 (0.73) 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