SCHEMBL4396957

SCHEMBL4396957

COc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
GSK3B P49841 1/20 0.41
ACKR3 P25106 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHEK1 O14757 1/20 0.38
DYRK1A Q13627 3/20 0.38
CD274 Q9NZQ7 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
PIK3CD O00329 3/20 0.37
HTR4 Q13639 1/20 0.37
HTR7 P34969 1/20 0.37
WNT1 P04628 2/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
HPGDS O60760 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL4403763 0.94 TLR9 (0.42) TLR9GSK3BACKR3DYRK1ACD274
SCHEMBL4410357 0.90 GSK3B (0.40) TLR9GSK3BACKR3DYRK1ACD274
SCHEMBL4550682 0.89 GSK3B (0.39) TLR9GSK3BACKR3DYRK1ACD274
SCHEMBL4396992 0.89 KMT2A (0.41) ACKR3SIGMAR1DYRK1AHTR4
SCHEMBL914725 0.87 TLR9 (0.44) TLR9GSK3BACKR3SIGMAR1DYRK1A
SCHEMBL4405570 0.87 TLR7 (0.43) TLR9SIGMAR1DYRK1AHTR4
SCHEMBL4396410 0.87 L3MBTL1 (0.40) DYRK1AWNT1
SCHEMBL4396337 0.86 HTR7 (0.43) HTR7
SCHEMBL4396457 0.85 HRH3 (0.42) HTR7
SCHEMBL4410349 0.85 HRH3 (0.42) HTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed