SCHEMBL4476872

SCHEMBL4476872

Nc1c(-c2ccc(C3CC[CH]CC3)cc2)cnc2nccn12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.46
TTK P33981 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TNK2 Q07912 3/20 0.32
USP7 Q93009 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
SCHEMBL14813113 0.80 DGAT1 (0.66) DGAT1
SCHEMBL4933403 0.80 DGAT1 (0.66) DGAT1
SCHEMBL4472222 0.78 ALDH1A1 (0.60) DGAT1ALDH1A1POLB
SCHEMBL4472609 0.70 DGAT1 (0.52) DGAT1ALDH1A1POLBUSP7
SCHEMBL4558482 0.70 DGAT1 (0.52) DGAT1ALDH1A1POLBUSP7
SCHEMBL4558171 0.70 NPC1 (0.67) DGAT1ALDH1A1POLB
SCHEMBL4485345 0.70 NPC1 (0.62) DGAT1ALDH1A1POLB
SCHEMBL4476143 0.64 NPC1 (0.49) DGAT1ALDH1A1
SCHEMBL27979910 0.64 SLC18A3 (0.46) ALDH1A1POLB
SCHEMBL9291954 0.61 HDAC4 (0.42) DGAT1ALDH1A1

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-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed