SCHEMBL4396432

SCHEMBL4396432

C[C@@H](CN1CCC(NC(=O)Oc2cc3c(OCC4CCC4)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
SLC6A4 P31645 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB3 P13945 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
SCHEMBL4403759 0.97 HTR1A (0.37) HTR1ASLC6A4PARP1LMNATLR9
SCHEMBL4396942 0.91 PARP1 (0.34) HTR1ASLC6A4PARP1TLR9TLR8
SCHEMBL4405858 0.91 PARP1 (0.34) HTR1ASLC6A4PARP1TLR9TLR8
SCHEMBL4403441 0.90 HTR1A (0.40) HTR1ASLC6A4PARP1LMNATLR9
SCHEMBL4405338 0.89 TERT (0.36) HTR1ASLC6A4PARP1LMNAMTNR1A
SCHEMBL4396601 0.89 GUCY1B2 (0.34) HTR1ASLC6A4PARP1LMNAMTNR1A
SCHEMBL914493 0.88 KMT2A (0.43) HTR1ASLC6A4PARP1TLR9TLR8
SCHEMBL4412712 0.87 LMNA (0.36) HTR1ASLC6A4PARP1LMNA
SCHEMBL4400766 0.85 TERT (0.37) HTR1ASLC6A4PARP1
SCHEMBL4411341 0.85 HTR1A (0.34) HTR1ASLC6A4PARP1TLR9TLR8

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