SCHEMBL8549404

SCHEMBL8549404

O=C(NCc1ccc(OCC2CCC(COc3ccc(CNC(=O)NOCc4ccccc4)cc3)CC2)cc1)NOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HPGD P15428 2/20 0.43
EPHX1 P07099 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8546557 0.83 LMNA (0.53) NPC1RAB9ALMNA
SCHEMBL8547013 0.82 HPGD (0.57) NPC1RAB9ALMNAHPGDEPHX1
SCHEMBL27537790 0.82 NPC1 (0.59) NPC1RAB9AL3MBTL1EPHX1
SCHEMBL8550262 0.79 NPC1 (0.53) NPC1RAB9AEPHX1
SCHEMBL8550343 0.79 HSD17B10 (0.46) HTR2CHTR2BLMNAPKML3MBTL1
SCHEMBL8549654 0.79 CARM1 (0.51) NPC1RAB9ALMNAL3MBTL1HPGD
SCHEMBL20778614 0.78 NPC1 (0.59) PARP15PARP10PARP2NPC1RAB9A
SCHEMBL8546499 0.77 HPGD (0.51) LMNAHPGD
SCHEMBL8549624 0.75 HPGD (0.49) NPC1RAB9AHPGD
SCHEMBL11247509 0.74 LMNA (0.58) NPC1RAB9ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed