SCHEMBL4405570

SCHEMBL4405570

COc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.43
TLR9 Q9NR96 7/20 0.43
TLR8 Q9NR97 7/20 0.42
DYRK1A Q13627 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR4 Q13639 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
TLR4 O00206 1/20 0.39
TLR3 O15455 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4396992 0.90 KMT2A (0.41) DYRK1AHTR4SIGMAR1KMT2AKDM4E
SCHEMBL4396410 0.88 L3MBTL1 (0.40) DYRK1AKDM4EHPGDHTTHSD17B10
SCHEMBL4401901 0.88 HTR4 (0.46) SMN1; SMN2NPSR1HTR4SIGMAR1KMT2A
SCHEMBL4396337 0.87 HTR7 (0.43) SMN1; SMN2KMT2AKDM4E
SCHEMBL4396957 0.87 TLR9 (0.42) TLR9DYRK1AHTR4SIGMAR1
SCHEMBL913724 0.87 TLR7 (0.50) TLR7TLR9TLR8DYRK1ASMN1; SMN2
SCHEMBL4406646 0.86 TSHR (0.42) TLR9HTR4SIGMAR1KMT2AKDM4E
SCHEMBL4394199 0.86 CHRM3 (0.41) DYRK1AHTR4RAD52
SCHEMBL4396457 0.85 HRH3 (0.42) SMN1; SMN2NPSR1KMT2AKDM4EHPGD
SCHEMBL4410349 0.85 HRH3 (0.42) SMN1; SMN2NPSR1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed