SCHEMBL6015868

SCHEMBL6015868

Nc1nc(O)nc2cccc(OCC=O)c12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 14/20 0.46
▸ DHFR P00374 7/20 0.43
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL6015551 0.81 DCPS (0.49) DCPSDHFRKCNH2
SCHEMBL6015550 0.75 KDM4E (0.53) DCPSDHFR
SCHEMBL6015544 0.74 DCPS (0.57) DCPSDHFR
SCHEMBL6015543 0.73 DCPS (0.80) DCPSDHFR
SCHEMBL6015541 0.73 DCPS (0.59) DCPSDHFR
SCHEMBL6015539 0.71 CHRNB2 (0.51) DCPSDHFR
SCHEMBL6015535 0.71 DCPS (0.54) DCPSDHFR
SCHEMBL6015552 0.71 DCPS (0.54) DCPSDHFR
SCHEMBL6015547 0.71 CHRNB2 (0.51) DCPSDHFR
SCHEMBL6015540 0.70 DCPS (0.47) DCPSDHFR

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
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