SCHEMBL16239704

SCHEMBL16239704

Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)O)C3)CC2)nc1

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
SCHEMBL16239710 0.94 TACR3 (0.74) TACR3
SCHEMBL16239628 0.91 TACR3 (0.80) TACR3
SCHEMBL16239533 0.90 TACR3 (0.76) TACR3
SCHEMBL16240047 0.88 TACR3 (0.76) TACR3
SCHEMBL16239550 0.88 TACR3 (0.77) TACR3
SCHEMBL10277632 0.86 TACR3 (1.00) TACR3
SCHEMBL16239816 0.85 TACR3 (0.77) TACR3
SCHEMBL16239790 0.82 TACR3 (0.71) TACR3
SCHEMBL16239637 0.80 TACR3 (0.73) TACR3
SCHEMBL16239796 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