SCHEMBL13613822

SCHEMBL13613822

CCC(COCCC1CCN(C(=O)Nc2cccc(SC)c2)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
FAAH O00519 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ3 P48549 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13613812 0.92 FAAH (0.42) MAPTGAAFAAHIDO1KDM4E
SCHEMBL13613820 0.91 LMNA (0.42) CCR2MAPTFAAHNPC1RAB9A
SCHEMBL13613817 0.90 CCR3 (0.44) FAAHNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13613816 0.89 CYP2D6 (0.37) CCR2FAAHALDH1A1TSHR
SCHEMBL13613810 0.85 TLR7 (0.39) LMNATLR7
SCHEMBL13613827 0.83 KMT2A (0.38) MAPTKDM4ELMNATLR7
SCHEMBL13613824 0.83 TAS1R3 (0.40) MAPTGAANPC1RAB9ALMNA
SCHEMBL13613811 0.83 TLR7 (0.39) GAALMNATLR7
SCHEMBL13613815 0.83 LCK (0.36) MAPTKDM4ELMNATLR7ALDH1A1
SCHEMBL13613819 0.81 EPHX2 (0.41)

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