SCHEMBL5748400

SCHEMBL5748400

Nc1nc2ccccc2c2c1ncn2CCCCCC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.48
TRPV1 Q8NER1 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL5747095 0.90 TLR7 (0.49) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5749045 0.82 TLR7 (0.55) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5750061 0.82 TLR7 (0.49) TLR7TRPV1HDAC3HDAC1LMNA
SCHEMBL5747394 0.81 TLR7 (0.56) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5748394 0.81 TLR7 (0.53) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5748601 0.80 TLR7 (0.57) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL14592752 0.79 TLR7 (0.46) TLR7TRPV1LMNAPOLBHRH2
SCHEMBL5749163 0.79 TLR7 (0.53) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5617011 0.79 TLR7 (0.52) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5748404 0.78 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D

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 3 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