SCHEMBL2477433

SCHEMBL2477433

CC(=O)C1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1.CN(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.53

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
SCHEMBL2474067 0.93 TACR3 (0.51) TACR3
SCHEMBL2480905 0.92 TACR3 (0.51) TACR3
SCHEMBL2477257 0.91 TACR3 (0.54) TACR3
SCHEMBL2480227 0.85 OPRM1 (0.45) TACR3
SCHEMBL2479990 0.85 TACR3 (0.46) TACR3
SCHEMBL2478604 0.84 TACR3 (0.52) TACR3
SCHEMBL2474123 0.83 TACR3 (0.53) TACR3
SCHEMBL2480887 0.82 TACR3 (0.49) TACR3
SCHEMBL2477328 0.81 TACR3 (0.53) TACR3
SCHEMBL2477738 0.81 TACR3 (0.53) 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-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP claimed