SCHEMBL5744142

SCHEMBL5744142

Cc1cc(C(C=O)c2cc3ccccc3cn2)cc2cn(COCC[Si](C)(C)C)nc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.32

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
SCHEMBL5743217 0.88 BRD4 (0.33) DGAT1
SCHEMBL5746467 0.86 ALOX5 (0.31) —
SCHEMBL5746562 0.85 DGAT1 (0.34) DGAT1
SCHEMBL5745800 0.85 DGAT1 (0.32) DGAT1
SCHEMBL5746724 0.83 DGAT1 (0.32) DGAT1
SCHEMBL4510889 0.80 DGAT1 (0.34) DGAT1
SCHEMBL4508881 0.80 DGAT1 (0.32) DGAT1
SCHEMBL4503765 0.78 DGAT1 (0.31) DGAT1
SCHEMBL4507711 0.75 DGAT1 (0.37) DGAT1
SCHEMBL5745667 0.74 BRD4 (0.34) DGAT1

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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