SCHEMBL2475606

SCHEMBL2475606

CN(Cc1ccc(F)cc1)C(=O)O.COc1cccc([C@H]2C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.68

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
SCHEMBL2478073 0.95 TACR3 (0.60) TACR3
SCHEMBL2480115 0.92 TACR3 (0.68) TACR3
SCHEMBL2474365 0.92 TACR3 (0.66) TACR3
SCHEMBL2478955 0.91 TACR3 (0.65) TACR3
SCHEMBL2478147 0.90 TACR3 (0.67) TACR3
SCHEMBL2480799 0.89 TACR3 (0.68) TACR3
SCHEMBL2477495 0.87 TACR3 (0.66) TACR3
SCHEMBL2479326 0.86 TACR3 (0.67) TACR3
SCHEMBL2477469 0.86 TACR3 (0.67) TACR3
SCHEMBL2482735 0.86 TACR3 (0.60) 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