SCHEMBL5745800

SCHEMBL5745800

Cc1cc(C(CN)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
SCHEMBL5746562 0.91 DGAT1 (0.34) DGAT1
SCHEMBL5744724 0.87 BRD4 (0.32) —
SCHEMBL5744596 0.86 ALOX5 (0.30) —
SCHEMBL5744142 0.85 DGAT1 (0.32) DGAT1
SCHEMBL5744915 0.83 DGAT1 (0.32) DGAT1
SCHEMBL4508881 0.82 DGAT1 (0.32) DGAT1
SCHEMBL4510889 0.81 DGAT1 (0.34) DGAT1
SCHEMBL5744102 0.80 — —
SCHEMBL5745667 0.78 BRD4 (0.34) DGAT1
SCHEMBL4503765 0.76 DGAT1 (0.31) 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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