SCHEMBL9024744

SCHEMBL9024744

CN(C=O)CN1CCC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71

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
SCHEMBL9024753 1.00 TACR1 (0.71) TACR1
SCHEMBL9025631 0.89 TACR1 (0.67) TACR1
SCHEMBL9024898 0.89 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL9024799 0.88 TACR1 (0.66) TACR1
Hydrochloric Acid SCHEMBL9024287 0.88 TACR1 (0.68) TACR1
SCHEMBL9024498 0.87 TACR1 (0.70) TACR1
SCHEMBL9024496 0.87 TACR1 (0.70) TACR1
SCHEMBL8545494 0.86 TACR1 (0.64) TACR1
SCHEMBL19202253 0.85 TACR1 (0.76) TACR1
Hydrochloric Acid SCHEMBL8539710 0.85 TACR1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP claimed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP claimed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO claimed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP claimed