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Sugi Predict / Compounds / SCHEMBL5312353

SCHEMBL5312353

SCHEMBL5312353

Cc1nn(Cc2ccccc2)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 15/20 0.54
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL5310910 0.95 CASR (0.52) CASRPOLBRXFP1
SCHEMBL5310310 0.93 CASR (0.50) CASRPOLBRXFP1
SCHEMBL5310323 0.93 CASR (0.52) CASRPOLBRXFP1
SCHEMBL5313301 0.92 CASR (0.49) CASRPOLBGAA
SCHEMBL5311393 0.92 CASR (0.50) CASRPOLBRXFP1
SCHEMBL5308152 0.91 CASR (0.58) CASR
SCHEMBL5309926 0.91 CASR (0.49) CASRRXFP1GAA
SCHEMBL5310145 0.91 CASR (0.51) CASR
SCHEMBL5309871 0.90 CASR (0.49) CASRPOLBRXFP1
SCHEMBL5307948 0.90 CASR (0.49) CASRPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO claimed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed