SCHEMBL3400749

SCHEMBL3400749

COc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.49
ACKR3 P25106 3/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 3/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
THRB P10828 1/20 0.42
BTK Q06187 1/20 0.42
UHRF1 Q96T88 1/20 0.42

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
SCHEMBL3402603 0.94 TLR9 (0.53) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3403904 0.91 CHRM4 (0.47) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3405145 0.90 CHRM4 (0.52) CHRM4ACKR3PPARDPPARABTK
SCHEMBL3403412 0.89 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3401785 0.88 ACKR3 (0.54) CHRM4ACKR3MAPTLMNATP53
SCHEMBL3400075 0.88 ACKR3 (0.54) CHRM4ACKR3MAPTLMNATP53
SCHEMBL3403598 0.87 ACKR3 (0.53) CHRM4ACKR3MAPTLMNATP53
SCHEMBL3402641 0.86 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3405722 0.86 CHRM4 (0.50) CHRM4ACKR3PPARDPPARABTK
SCHEMBL3402461 0.85 CHRM4 (0.55) CHRM4ACKR3PPARDPPARA

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed