SCHEMBL2480969

SCHEMBL2480969

CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccccc2)C[C@H]1CO

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.62
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 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
SCHEMBL2477938 0.95 TACR3 (0.60) TACR3SLC6A2SLC6A4SLC6A3
SCHEMBL2476833 0.94 TACR3 (0.59) TACR3
SCHEMBL2480492 0.91 SLC6A2 (0.59) TACR3SLC6A2SLC6A4SLC6A3
SCHEMBL2476832 0.88 TACR3 (0.61) TACR3
SCHEMBL2480027 0.85 TACR3 (0.61) TACR3
SCHEMBL2477546 0.83 TACR3 (0.55) TACR3SLC6A2SLC6A4SLC6A3
SCHEMBL2478016 0.83 TACR3 (0.75) TACR3
SCHEMBL2478849 0.83 TACR3 (0.51) TACR3SLC6A2SLC6A4SLC6A3
SCHEMBL5792205 0.83 TACR3 (0.59) TACR3
SCHEMBL2477948 0.83 TACR3 (0.59) 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 disclosed