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Sugi Predict / Compounds / SCHEMBL6015547

SCHEMBL6015547

SCHEMBL6015547

Nc1nc(O)nc2cccc(OC[C@@H]3CCCN3)c12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ CHRNB4 P30926 5/20 0.50
▸ CHRNA3 P32297 5/20 0.50
▸ DCPS Q96C86 4/20 0.48
▸ DHFR P00374 1/20 0.48
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45

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
SCHEMBL6015539 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3DCPS
SCHEMBL6015541 0.81 DCPS (0.59) DCPSDHFR
SCHEMBL12322040 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3F2
SCHEMBL12322038 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3F2
SCHEMBL6015552 0.79 DCPS (0.54) DCPSDHFRF2PLGPLAU
SCHEMBL6015544 0.77 DCPS (0.57) DCPSDHFR
SCHEMBL618000 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3F2
SCHEMBL10257173 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3F2
SCHEMBL10257366 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3F2
SCHEMBL6015535 0.77 DCPS (0.54) DCPSDHFRF2PLGPLAU

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
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 — — WO disclosed