SCHEMBL5749804

SCHEMBL5749804

Nc1nc2c(c3c1ncn3CCCCNC(=O)c1ccc3ccccc3c1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
DRD3 P35462 12/20 0.46
HRH4 Q9H3N8 1/20 0.46
DRD2 P14416 11/20 0.45
ADRA1A P35348 8/20 0.45
DRD4 P21917 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL5746876 0.84 ACHE (0.44) DRD3
SCHEMBL3867629 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6773548 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14516487 0.76 ALDH1A1 (0.38)
SCHEMBL3814425 0.76 BCHE (0.44) HDAC3HDAC1DRD2
SCHEMBL3176199 0.75 TK1 (0.43)
SCHEMBL5746870 0.74 BCHE (0.35) ADRA1A
SCHEMBL14516489 0.74 HTR7 (0.47) DRD2
SCHEMBL3863573 0.74 DRD3 (0.56) HDAC3HDAC1HDAC2HDAC6DRD3
SCHEMBL5749801 0.74 TLR7 (0.35) ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed