SCHEMBL2476832

SCHEMBL2476832

CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.61
TACR2 P21452 1/20 0.53
TACR1 P25103 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
SCHEMBL2476833 0.94 TACR3 (0.59) TACR3TACR2TACR1
SCHEMBL2480969 0.88 TACR3 (0.62) TACR3
SCHEMBL2477938 0.88 TACR3 (0.60) TACR3
SCHEMBL2477546 0.88 TACR3 (0.55) TACR3TACR2TACR1
SCHEMBL2478016 0.88 TACR3 (0.75) TACR3TACR2TACR1
SCHEMBL2480027 0.88 TACR3 (0.61) TACR3TACR2TACR1
SCHEMBL2478849 0.83 TACR3 (0.51) TACR3TACR2TACR1
SCHEMBL2480287 0.81 TACR3 (0.75) TACR3TACR2TACR1
SCHEMBL2482715 0.81 TACR3 (0.75) TACR3TACR2TACR1
SCHEMBL2480415 0.81 TACR3 (0.51) TACR3TACR2TACR1

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