SCHEMBL6190860

SCHEMBL6190860

CON(C)C(=O)c1cc(OC2CCCCO2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
HSD11B1 P28845 1/20 0.38
PTPN1 P18031 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TNK2 Q07912 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CFTR P13569 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL18796441 0.88 PDK1 (0.39) HSD11B1PTPN1MEN1KMT2ANPC1
SCHEMBL30113070 0.88 PDK1 (0.39) HSD11B1PTPN1MEN1KMT2ANPC1
SCHEMBL8209894 0.77 DHFR (0.38) DHFRHSD11B1MEN1KMT2ATNK2
SCHEMBL6189790 0.76 NPC1 (0.39) KMT2ANPC1RAB9AALDH1A1
SCHEMBL3469683 0.75 CLK1 (0.55) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL3905489 0.73 CA12 (0.46) HSD11B1PTPN1MEN1KMT2AKDM4E
SCHEMBL4119366 0.72 MAOB (0.40) DHFRHSD11B1PTPN1MEN1KMT2A
SCHEMBL6908438 0.72 GAA (0.41) DHFRHSD11B1PTPN1MEN1KMT2A
SCHEMBL8771671 0.72 KDM4E (0.45) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3890176 0.72 CA12 (0.41) MEN1KMT2ANPC1RAB9ACLK1

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