SCHEMBL8540356

SCHEMBL8540356

CC(C)(C)OC(=O)N1CCC[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.65

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
SCHEMBL9220669 1.00 TACR1 (0.65) TACR1
SCHEMBL9165193 0.91 TACR1 (0.79) TACR1
SCHEMBL9165199 0.91 TACR1 (0.79) TACR1
SCHEMBL9076634 0.91 TACR1 (0.79) TACR1
SCHEMBL8888434 0.85 TACR1 (0.70) TACR1
SCHEMBL31401699 0.84 TACR1 (0.68) TACR1
SCHEMBL9025510 0.83 TACR1 (0.66) TACR1
SCHEMBL9025495 0.83 TACR1 (0.66) TACR1
SCHEMBL9025492 0.83 TACR1 (0.66) TACR1
SCHEMBL9025141 0.82 TACR1 (0.65) TACR1

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-0683767-B1 AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 1998-06-03 EP disclosed
WO-1994019323-A1 AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-09-01 WO disclosed