SCHEMBL4403441

SCHEMBL4403441

CC(C)COc1cccc2[nH]c(OC(=O)NC3CCN(C[C@H](C)N4CCC(O)CC4)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.40
SLC6A4 P31645 2/20 0.40
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.37
ADRB3 P13945 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4405878 0.93 LMNA (0.40) HTR1ASLC6A4LMNAPARP1ADRB3
SCHEMBL4403759 0.91 HTR1A (0.37) HTR1ASLC6A4LMNAPARP1ADRB3
SCHEMBL4396585 0.91 LMNA (0.40) HTR1ASLC6A4LMNAPARP1ADRB3
SCHEMBL4396432 0.90 HTR1A (0.36) HTR1ASLC6A4LMNAPARP1ADRB3
SCHEMBL4409085 0.88 LMNA (0.40) HTR1ASLC6A4LMNAPARP1ADRB3
SCHEMBL914856 0.87 KMT2A (0.43) HTR1ASLC6A4PARP1TLR9TLR8
SCHEMBL4411341 0.87 HTR1A (0.34) HTR1ASLC6A4PARP1TLR9TLR8
SCHEMBL4401792 0.85 DRD2 (0.35) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4551166 0.84 LMNA (0.42) HTR1ALMNAPARP1ADRB3
SCHEMBL4405571 0.84 KDM4E (0.39) HTR1ALMNAPARP1ADRB3

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