Sugi Predict

Sugi Predict / Compounds / SCHEMBL5286931

SCHEMBL5286931

SCHEMBL5286931

O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCC(=O)N(CNCc2ccc(OC(F)(F)F)cc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.53

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
SCHEMBL5280551 0.90 CHRM3 (0.57) CHRM3
SCHEMBL6021929 0.90 CHRM3 (0.57) CHRM3
SCHEMBL3143166 0.85 CHRM3 (0.59) CHRM3
SCHEMBL4693902 0.85 CHRM3 (0.57) CHRM3
SCHEMBL3134770 0.83 CHRM3 (0.56) CHRM3
SCHEMBL3292968 0.83 CHRM3 (0.58) CHRM3
SCHEMBL3138470 0.82 CHRM3 (0.61) CHRM3
SCHEMBL3290947 0.81 CHRM3 (0.60) CHRM3
SCHEMBL6021962 0.80 CHRM3 (0.46) CHRM3
SCHEMBL3292963 0.80 CHRM3 (0.64) CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866284-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-12-19 — — EP claimed
WO-2006099167-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 — — WO claimed
EP-1866284-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-12-19 — — EP disclosed
WO-2006099167-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 — — WO disclosed