SCHEMBL2477306

SCHEMBL2477306

CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00

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
SCHEMBL2475833 1.00 TACR3 (1.00) TACR3
SCHEMBL5807822 0.94 TACR3 (0.89) TACR3
SCHEMBL2475994 0.94 TACR3 (0.89) TACR3
SCHEMBL2477782 0.94 TACR3 (0.89) TACR3
SCHEMBL2479969 0.94 TACR3 (1.00) TACR3
SCHEMBL2479236 0.94 TACR3 (1.00) TACR3
SCHEMBL2475756 0.93 TACR3 (0.98) TACR3
SCHEMBL2479991 0.93 TACR3 (0.98) TACR3
SCHEMBL2475903 0.92 TACR3 (1.00) TACR3
SCHEMBL2477109 0.92 TACR3 (1.00) 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 2 patents. 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
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed