SCHEMBL5383075

SCHEMBL5383075

ClCc1ccnc(OCc2cn3c(Cl)cccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 7/20 0.36
NPC1 O15118 2/20 0.35
ADRB2 P07550 1/20 0.35
LMNA P02545 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
SCHEMBL5377275 0.89 RAB9A (0.39) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL7488315 0.81 KDM4E (0.43) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL6157057 0.80 RAB9A (0.52) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL5382459 0.78 KDM4E (0.40) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL5371916 0.74 PDE10A (0.48) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL7537573 0.73 FFAR1 (0.34) PDE10A
Hydrochloric Acid SCHEMBL6157540 0.73 PDE10A (0.47) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL6157321 0.72 KDM4E (0.51) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL5384818 0.67 PDE10A (0.47) RAB9AMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL9570224 0.67 PDE10A (0.50) RAB9AMAPTPOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed