SCHEMBL5746562

SCHEMBL5746562

Cc1cc(C(CO)c2cc3ccccc3cn2)cc2cn(COCC[Si](C)(C)C)nc12

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.34

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
SCHEMBL5745800 0.91 DGAT1 (0.32) DGAT1
SCHEMBL5745667 0.87 BRD4 (0.34) DGAT1
SCHEMBL5744142 0.85 DGAT1 (0.32) DGAT1
SCHEMBL4510889 0.83 DGAT1 (0.34) DGAT1
SCHEMBL5747621 0.83 ALDH1A1 (0.33) —
SCHEMBL5743215 0.83 DGAT1 (0.32) DGAT1
SCHEMBL5745077 0.81 PDE10A (0.33) —
SCHEMBL5746539 0.80 KDM4E (0.30) —
SCHEMBL4508881 0.80 DGAT1 (0.32) DGAT1
SCHEMBL5745758 0.80 KLKB1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689738-A2 HETEROCYCLIC ANTI-MIGRAINE AGENTS Bristol-Myers Squibb Company (US) 2006-08-16 — — EP disclosed
WO-2005056550-A2 HETEROCYCLIC ANTI-MIGRAINE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-23 — — WO disclosed
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