SCHEMBL8787140

SCHEMBL8787140

Cc1nc2ccccc2c(-c2ccccc2)c1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72

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
SCHEMBL8786826 0.90 TACR1 (0.62) TACR1
SCHEMBL8785658 0.89 TACR1 (0.60) TACR1
SCHEMBL8784841 0.84 TACR1 (1.00) TACR1
SCHEMBL8786472 0.83 TACR1 (0.71) TACR1
SCHEMBL8787076 0.81 TACR1 (0.52) TACR1
SCHEMBL8785930 0.81 TACR1 (0.52) TACR1
SCHEMBL8786510 0.80 TACR1 (0.61) TACR1
SCHEMBL8785400 0.80 TACR1 (0.55) TACR1
SCHEMBL8786183 0.78 TACR1 (0.78) TACR1
SCHEMBL5331418 0.77 TACR1 (0.80) 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
EP-0585913-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-29 EP claimed