SCHEMBL8700377

SCHEMBL8700377

C[C@@H](OC1CCC(N(C)C(N)=O)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL8700307 1.00 TACR1 (0.66) TACR1
SCHEMBL7198881 0.81 TACR1 (0.63) TACR1
SCHEMBL7198877 0.81 TACR1 (0.63) TACR1
SCHEMBL8700774 0.81 TACR1 (0.82) TACR1
SCHEMBL7517036 0.81 TACR1 (0.58) TACR1
SCHEMBL7521705 0.80 TACR1 (0.81) TACR1
SCHEMBL7514969 0.80 TACR1 (0.81) TACR1
SCHEMBL7514975 0.80 TACR1 (0.81) TACR1
SCHEMBL7514964 0.80 TACR1 (0.81) TACR1
SCHEMBL8707318 0.79 TACR1 (0.65) 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