SCHEMBL16239796

SCHEMBL16239796

CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)O)C2)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.73

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
SCHEMBL16239790 0.89 TACR3 (0.71) TACR3
SCHEMBL16239637 0.86 TACR3 (0.73) TACR3
SCHEMBL10277247 0.84 TACR3 (1.00) TACR3
SCHEMBL16240082 0.84 TACR3 (0.71) TACR3
SCHEMBL16239542 0.84 TACR3 (0.73) TACR3
SCHEMBL16239710 0.82 TACR3 (0.74) TACR3
SCHEMBL16239682 0.80 TACR3 (0.75) TACR3
SCHEMBL16239704 0.80 TACR3 (0.75) TACR3
SCHEMBL16239795 0.80 TACR3 (0.68) TACR3
SCHEMBL16239628 0.79 TACR3 (0.80) 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