SCHEMBL3402660

SCHEMBL3402660

COc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.49
ACKR3 P25106 2/20 0.46
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
UHRF1 Q96T88 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
BTK Q06187 1/20 0.39
DRD2 P14416 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CHRM3 P20309 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 1/20 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
SCHEMBL13071989 0.93 CHRM4 (0.47) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3399791 0.88 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3402641 0.88 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3402603 0.85 TLR9 (0.53) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3399763 0.85 CHRM4 (0.51) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3400749 0.84 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3405389 0.83 CHRM4 (0.48) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3403904 0.83 CHRM4 (0.47) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3401785 0.83 ACKR3 (0.54) CHRM4ACKR3PPARDPPARACHRM3
SCHEMBL3399769 0.82 DRD2 (0.48) DRD2

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
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