SCHEMBL4472609

SCHEMBL4472609

Nc1c(-c2ccc(C3CC[CH]CC3)cc2)cnc2cc(C3CC3)nn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.52
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
STAT1 P42224 1/20 0.43
KDR P35968 2/20 0.35
FYN P06241 1/20 0.35
RXFP1 Q9HBX9 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.31
USP7 Q93009 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL4558482 0.86 DGAT1 (0.52) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4485345 0.86 NPC1 (0.62) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4937509 0.82 DGAT1 (0.72) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4476143 0.81 NPC1 (0.49) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4472222 0.75 ALDH1A1 (0.60) DGAT1NPC1RAB9AKDM4EMEN1
SCHEMBL237593 0.72 FYN (0.39) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4558171 0.72 NPC1 (0.67) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4948253 0.71 DGAT1 (0.72) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4475120 0.71 DGAT1 (0.67) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4937122 0.70 DGAT1 (0.71) DGAT1NPC1RAB9ASMN1; SMN2MEN1

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