SCHEMBL8700797

SCHEMBL8700797

C[C@@H](OC1CCC(CN2CC[C@H](C(=O)OC(C)(C)C)C2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.58

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
SCHEMBL8700791 1.00 TACR1 (0.58) TACR1
SCHEMBL8700793 1.00 TACR1 (0.58) TACR1
SCHEMBL8700751 0.86 TACR1 (0.61) TACR1
SCHEMBL8706402 0.86 TACR1 (0.61) TACR1
SCHEMBL5212764 0.86 TACR1 (0.54) TACR1
SCHEMBL5212773 0.86 TACR1 (0.54) TACR1
SCHEMBL5212768 0.86 TACR1 (0.54) TACR1
SCHEMBL5282860 0.86 TACR1 (0.64) TACR1
SCHEMBL5297374 0.86 TACR1 (0.64) TACR1
SCHEMBL5297365 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed