SCHEMBL2476871

SCHEMBL2476871

CC(=O)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.79

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
SCHEMBL2478888 1.00 TACR3 (0.79) TACR3
SCHEMBL2477271 0.99 TACR3 (0.77) TACR3
SCHEMBL2477295 0.99 TACR3 (0.77) TACR3
SCHEMBL2479997 0.96 TACR3 (0.81) TACR3
SCHEMBL2479996 0.96 TACR3 (0.81) TACR3
SCHEMBL2477114 0.93 TACR3 (0.81) TACR3
SCHEMBL2477442 0.93 TACR3 (0.81) TACR3
SCHEMBL2479844 0.92 TACR3 (0.67) TACR3
SCHEMBL2477786 0.92 TACR3 (0.67) TACR3
SCHEMBL2481719 0.89 TACR3 (0.77) 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