SCHEMBL7509481

SCHEMBL7509481

Cc1cc(C)cc(-c2nnc(C(F)(F)F)n2COCC[Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.38
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL7508726 0.90 DGAT1 (0.36) DGAT1CCNCCDK8
SCHEMBL30531839 0.83 DGAT1 (0.37) DGAT1CCNCCDK8NPC1ALOX5AP
SCHEMBL25249478 0.82 DGAT1 (0.42) DGAT1CCNCCDK8ALOX5APFEN1
SCHEMBL29392834 0.80 DGAT1 (0.45) DGAT1CCNCCDK8ALOX5APFEN1
SCHEMBL25289208 0.80 DGAT1 (0.45) DGAT1CCNCCDK8ALOX5APFEN1
SCHEMBL29395303 0.80 DGAT1 (0.42) DGAT1NPC1
SCHEMBL25242533 0.79 DGAT1 (0.36) DGAT1CCNCCDK8
SCHEMBL25284186 0.79 DGAT1 (0.41) DGAT1CCNCCDK8ALOX5APFEN1
SCHEMBL25239322 0.79 DGAT1 (0.41) DGAT1CCNCCDK8ALOX5APFEN1
SCHEMBL29394926 0.79 DGAT1 (0.41) DGAT1CCNCCDK8ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 — — EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 — — US disclosed
EP-1042320-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS AstraZeneca UK Limited (GB) 2000-10-11 — — EP disclosed
WO-1999026944-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENEKA UK LIMITED (GB) 1999-06-03 — — WO disclosed
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