SCHEMBL27548184

SCHEMBL27548184

CCOC(=O)c1nccc(-c2ccccc2)c1C(=O)N(CCCO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.56
▸ GPBAR1 Q8TDU6 9/20 0.52

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
SCHEMBL6989350 0.95 TACR1 (0.58) TACR1GPBAR1
SCHEMBL6988418 0.87 GPBAR1 (0.47) TACR1GPBAR1
SCHEMBL6990714 0.83 TACR1 (0.57) TACR1GPBAR1
SCHEMBL6990147 0.81 GPBAR1 (0.48) TACR1GPBAR1
SCHEMBL7142160 0.81 TACR1 (0.57) TACR1GPBAR1
SCHEMBL6990538 0.77 TACR1 (0.59) TACR1GPBAR1
SCHEMBL7522146 0.76 TACR1 (0.60) TACR1GPBAR1
SCHEMBL6988382 0.75 TACR1 (0.48) TACR1GPBAR1
SCHEMBL6991745 0.74 TACR1 (0.57) TACR1GPBAR1
SCHEMBL6992641 0.74 TACR1 (0.45) TACR1GPBAR1

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
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 — — CN disclosed
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