Sugi Predict

Sugi Predict / Compounds / SCHEMBL5311327

SCHEMBL5311327

SCHEMBL5311327

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 15/20 0.52
▸ DAO P14920 1/20 0.37
▸ GNRHR P30968 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35

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
SCHEMBL5308844 0.91 CASR (0.55) CASR
SCHEMBL5312353 0.88 CASR (0.54) CASR
SCHEMBL5308152 0.87 CASR (0.58) CASR
SCHEMBL5310463 0.87 GNRHR (0.43) CASRGNRHR
SCHEMBL5308386 0.86 CASR (0.54) CASRDAOALDH1A1ALDH1A3
SCHEMBL5310323 0.86 CASR (0.52) CASR
SCHEMBL5310573 0.86 CASR (0.54) CASR
SCHEMBL5310910 0.86 CASR (0.52) CASRALDH1A1
SCHEMBL5310145 0.85 CASR (0.51) CASRALDH1A1
SCHEMBL5308515 0.85 CASR (0.53) CASRALDH1A1ALDH1A3

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