SCHEMBL6096147

SCHEMBL6096147

COC(=O)c1ccc2oc(-c3nc(C4CCCCC4)n(Cc4ccccc4)c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCKBR P32239 1/20 0.36
ELANE P08246 1/20 0.35
CFTR P13569 1/20 0.35
IDH1 O75874 1/20 0.35
CMA1 P23946 3/20 0.35
HDAC6 Q9UBN7 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6099003 0.85 CCKBR (0.39) RAB9ANPC1KMT2ACCKBRCFTR
SCHEMBL6097770 0.79 CCKBR (0.49) RAB9ANPC1CCKBRHDAC6ALOX5AP
SCHEMBL6097392 0.77 CNR2 (0.36) RAB9ANPC1KMT2ACCKBRCFTR
SCHEMBL6097387 0.77 CNR2 (0.36) RAB9ANPC1KMT2ACCKBRCFTR
SCHEMBL6099089 0.76 RIPK1 (0.43) KMT2ACCKBR
SCHEMBL6097679 0.74 CCKBR (0.40) MEN1KMT2ACCKBRSMN1; SMN2KDM4E
SCHEMBL6335210 0.73 KMT2A (0.39) RAB9AMEN1KMT2ACCKBRMAPT
SCHEMBL6097590 0.73 KMT2A (0.40) RAB9AMEN1KMT2ACCKBRMAPT
Lithium Ion SCHEMBL6335206 0.72 KMT2A (0.39) RAB9AMEN1KMT2ACCKBRMAPT
SCHEMBL6094324 0.71 CCKBR (0.57) RAB9ANPC1MEN1KMT2ACCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed