SCHEMBL4474205

SCHEMBL4474205

Cc1nc2ncnn2c(N)c1-c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.38
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ENPP1 P22413 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL4933426 0.81 DGAT1 (0.52)
SCHEMBL4484169 0.80 DGAT1 (0.47) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4472222 0.77 ALDH1A1 (0.60) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL10372114 0.77 NPC1 (0.56) MBOAT4KDM4ENPC1ALDH1A1HPGD
SCHEMBL302642 0.75 MBOAT4 (0.50) MBOAT4NPC1ALDH1A1HPGDRAB9A
SCHEMBL373769 0.72 MAP3K14 (0.48) MBOAT4KDM4EALDH1A1HPGDRAB9A
SCHEMBL3629809 0.70 MBOAT4 (0.45) MBOAT4KDM4ETSHR
SCHEMBL14491955 0.69 MBOAT4 (0.48) MBOAT4ALDH1A1TSHRKMT2A
SCHEMBL3629813 0.68 MBOAT4 (0.39) MBOAT4NPC1RAB9AMEN1KMT2A
SCHEMBL14503825 0.67 MBOAT4 (0.46) MBOAT4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP claimed
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-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
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