SCHEMBL6187342

SCHEMBL6187342

CON(C)C(=O)c1cc(O)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.46
TACR3 P29371 1/20 0.45
MAOB P27338 1/20 0.45
MGLL Q99685 2/20 0.44
CASP3 P42574 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
PLAU P00749 1/20 0.42
F10 P00742 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6189531 0.91 TACR3 (0.53) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL6191870 0.84 NPC1 (0.46) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL6191271 0.83 NPC1 (0.45) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL3496550 0.82 NPC1 (0.58) NPC1RAB9AKMT2AMAOBMGLL
SCHEMBL8207158 0.81 NPC1 (0.54) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL5125821 0.78 RAB9A (0.52) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL4446117 0.78 PARP1 (0.51) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL4372681 0.78 NPC1 (0.60) NPC1RAB9AMAOBMGLLCASP3
SCHEMBL6189790 0.77 NPC1 (0.39) NPC1RAB9AKMT2ATACR3MAOB
SCHEMBL13666704 0.77 POLB (0.56) NPC1RAB9AKMT2AMAOBMGLL

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-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed