SCHEMBL8700433

SCHEMBL8700433

C[C@@H](O[C@H]1CC[C@@H](N(C)Cc2nc[nH]n2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.75

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
SCHEMBL8700432 1.00 TACR1 (0.75) TACR1
SCHEMBL8700440 1.00 TACR1 (0.75) TACR1
SCHEMBL8707278 1.00 TACR1 (0.75) TACR1
SCHEMBL8708422 0.90 TACR1 (0.74) TACR1
SCHEMBL8708426 0.90 TACR1 (0.74) TACR1
SCHEMBL8464580 0.85 TACR1 (1.00) TACR1
SCHEMBL8464583 0.85 TACR1 (1.00) TACR1
SCHEMBL8464585 0.85 TACR1 (1.00) TACR1
SCHEMBL8522904 0.83 TACR1 (0.53) TACR1
SCHEMBL8522905 0.83 TACR1 (0.53) 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