SCHEMBL4695757

SCHEMBL4695757

O=C(CNCCOC(=O)N(c1ccccc1-c1ccccc1)N1CC[CH]CC1)c1ccc(CNCCO)cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.39
PDCD1 Q15116 17/20 0.39
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6027369 0.92 OPRM1 (0.37) CD274PDCD1
SCHEMBL4696348 0.89 PDCD1 (0.38) CD274PDCD1
SCHEMBL4696335 0.88 PDCD1 (0.44) CD274PDCD1HTTSMN1; SMN2
SCHEMBL4695712 0.85 MEN1 (0.38) CD274PDCD1
SCHEMBL4696800 0.84 CD274 (0.42) CD274PDCD1HTTSMN1; SMN2
SCHEMBL4692560 0.82 CD274 (0.39) CD274PDCD1
SCHEMBL4695001 0.81 CD274 (0.46) CD274PDCD1HTTSMN1; SMN2
SCHEMBL4697200 0.81 HDAC1 (0.37) CD274PDCD1
SCHEMBL5803928 0.81 MAOB (0.35) CD274PDCD1
SCHEMBL4692679 0.80 PDCD1 (0.41) CD274PDCD1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP claimed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO claimed