SCHEMBL8539698

SCHEMBL8539698

O=CN(Cc1cccnc1)CN1CCC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.62

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
SCHEMBL9024498 0.92 TACR1 (0.70) TACR1
SCHEMBL9024496 0.92 TACR1 (0.70) TACR1
SCHEMBL8537757 0.87 TACR1 (0.60) TACR1
SCHEMBL9201950 0.85 TACR1 (0.82) TACR1
SCHEMBL9544623 0.85 TACR1 (0.82) TACR1
Hydrochloric Acid SCHEMBL9075492 0.84 TACR1 (0.80) TACR1
Hydrochloric Acid SCHEMBL9159291 0.84 TACR1 (0.80) TACR1
SCHEMBL8539701 0.83 TACR1 (0.73) TACR1
SCHEMBL8539538 0.83 TACR1 (0.64) TACR1
SCHEMBL8545494 0.82 TACR1 (0.64) 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-B1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME (GB) 1998-11-25 EP disclosed
WO-1994002461-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed