SCHEMBL4485345

SCHEMBL4485345

Cc1cc2ncc(-c3ccc(C4CC[CH]CC4)cc3)c(N)n2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 1/20 0.62
DGAT1 O75907 5/20 0.52
KDR P35968 4/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
STAT1 P42224 1/20 0.43
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4472609 0.86 DGAT1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4937122 0.81 DGAT1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4476143 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10627775 0.77 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10838376 0.75 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4472222 0.75 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2ADGAT1
SCHEMBL4558171 0.72 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4476872 0.70 DGAT1 (0.46) DGAT1ALDH1A1POLB
SCHEMBL4948253 0.69 DGAT1 (0.72) NPC1RAB9ASMN1; SMN2DGAT1KDM4E

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