SCHEMBL5330706

SCHEMBL5330706

CCCC[C@@H]([C]=O)NNC(=O)COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ BMP1 P13497 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LTB4R2 Q9NPC1 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.31
▸ FABP5 Q01469 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
SCHEMBL7557772 0.88 NPC1 (0.35) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL3386401 0.87 MDM2 (0.41) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL8079493 0.84 MEN1 (0.40) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL4841403 0.84 NPC1 (0.42) NPC1RAB9AKMT2AMEN1HSD17B10
SCHEMBL17500350 0.83 NPC1 (0.43) NPC1RAB9AKMT2AMEN1HSD17B10
SCHEMBL2990766 0.82 MEN1 (0.43) NPC1RAB9AKMT2AMEN1HSD17B10
SCHEMBL303625 0.82 NPC1 (0.42) NPC1RAB9AKMT2AMEN1HSD17B10
Norleucine SCHEMBL7204454 0.82 SLC1A5 (0.36) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL4784032 0.81 FABP5 (0.41) RAB9AKMT2AMEN1TSHRGPR55
SCHEMBL7185186 0.81 NPC1 (0.34) NPC1RAB9AKMT2AMEN1MDM2

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
WO-2007109609-A2 METHOD FOR INHIBITING ANGIOGENESIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 — — WO disclosed
US-6936584-B1 Mixed amylin activity compounds AMYLIN PHARMACEUTICALS, INC. (US) 2005-08-30 — — US disclosed
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