SCHEMBL13613812

SCHEMBL13613812

CCC(COCCC1CCN(C(=O)Nc2ccccc2)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TLR7 Q9NYK1 2/20 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
SCHEMBL13613820 0.93 LMNA (0.42) FAAHIDO1LMNATLR7MAPT
SCHEMBL13613817 0.93 CCR3 (0.44) FAAHSMN1; SMN2ALDH1A1GSK3B
SCHEMBL13613822 0.92 CCR2 (0.40) FAAHIDO1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13613816 0.91 CYP2D6 (0.37) FAAHALDH1A1TSHRRECQLCYP1A2
SCHEMBL13613810 0.91 TLR7 (0.39) LMNATLR7POLBHRH2ADRA1D
SCHEMBL13613827 0.91 KMT2A (0.38) KDM4ELMNATLR7MAPTPOLB
SCHEMBL13613811 0.89 TLR7 (0.39) GAALMNATLR7POLBHRH2
SCHEMBL13613815 0.89 LCK (0.36) SMN1; SMN2KDM4EALDH1A1LMNATLR7
SCHEMBL13613824 0.88 TAS1R3 (0.40) SMN1; SMN2ALDH1A1GAALMNAMAPT
SCHEMBL13613819 0.87 EPHX2 (0.41) KCNH2

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
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed