SCHEMBL2424816

SCHEMBL2424816

CC(C)OC(=O)n1[c]ncc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.33
BCHE P06276 1/20 0.33
TSHR P16473 1/20 0.32
JMJD6 Q6NYC1 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL2423208 0.79
SCHEMBL5270457 0.71
SCHEMBL2451086 0.68 CYP24A1 (0.38) P2RX4BCHETSHRGPR119
SCHEMBL23407929 0.64 NOS1 (0.44) P2RX4BCHETSHR
SCHEMBL1427720 0.64 P2RX4 (0.37) P2RX4BCHETSHRJMJD6GPR119
SCHEMBL23418624 0.63 P2RX4 (0.42) P2RX4BCHETSHR
SCHEMBL751362 0.63 P2RX4 (0.33) P2RX4BCHETSHR
SCHEMBL753376 0.63 P2RX4 (0.33) P2RX4BCHETSHR
SCHEMBL162055 0.62 BCHE (0.38) P2RX4BCHETSHRJMJD6GPR119
SCHEMBL26317513 0.62 TSHR (0.43) P2RX4BCHETSHRGPR119

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
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed