SCHEMBL7008027

SCHEMBL7008027

CCCC(=O)Cn1ncc(C(=O)OCC)c1N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 3/20 0.52
TSHR P16473 4/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL31715213 0.85 NPC1 (0.64) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL173434 0.83 NPC1 (0.68) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL4242279 0.82 NPC1 (0.61) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL24920108 0.81 NPC1 (0.56) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL24452557 0.80 NPC1 (0.65) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL19208815 0.79 NPC1 (0.57) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL7105351 0.79 NPC1 (0.64) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL28543588 0.78 SMN1; SMN2 (0.39) NPC1LMNASMN1; SMN2
SCHEMBL13522588 0.78 HPGD (0.66) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL31352167 0.78 NPC1 (0.62) NPC1LMNAALDH1A1RAB9AKDM4E

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-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed