SCHEMBL16239606

SCHEMBL16239606

CN(C(=O)O)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.62

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
SCHEMBL16239850 0.88 TACR3 (0.75) TACR3
SCHEMBL10277206 0.87 TACR3 (0.83) TACR3
SCHEMBL16239826 0.84 TACR3 (0.76) TACR3
SCHEMBL16239483 0.82 TACR3 (0.74) TACR3
SCHEMBL16239560 0.81 TACR3 (0.77) TACR3
SCHEMBL16239884 0.80 TACR3 (0.75) TACR3
SCHEMBL16239848 0.80 TACR3 (0.71) TACR3
SCHEMBL15751918 0.79 TACR3 (0.56) TACR3
SCHEMBL16239485 0.79 TACR3 (0.80) TACR3
SCHEMBL16239676 0.79 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