SCHEMBL8538196

SCHEMBL8538196

CC(N1CCCCC1=O)N1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.63

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
Hydrochloric Acid SCHEMBL8538666 0.99 TACR1 (0.62) TACR1
SCHEMBL9025181 0.80 TACR1 (0.69) TACR1
SCHEMBL9023795 0.80 TACR1 (0.65) TACR1
SCHEMBL9025715 0.80 TACR1 (0.69) TACR1
SCHEMBL8539072 0.79 TACR1 (0.70) TACR1
SCHEMBL8538296 0.79 TACR1 (0.66) TACR1
SCHEMBL9278462 0.79 TACR1 (0.67) TACR1
SCHEMBL9024565 0.78 TACR1 (1.00) TACR1
SCHEMBL9024566 0.78 TACR1 (1.00) TACR1
SCHEMBL9024868 0.78 TACR1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652866-B1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME (GB) 1998-11-25 EP claimed
EP-0652866-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP claimed
WO-1994002461-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO claimed