SCHEMBL4411341

SCHEMBL4411341

C[C@@H](CN1CCC(NC(=O)Oc2cc3c(OCc4ccoc4)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.34
SLC6A4 P31645 1/20 0.34
MCHR1 Q99705 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
SRD5A2 P31213 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL4406699 0.94 KMT2A (0.34) HTR1ASLC6A4MCHR1KMT2AACHE
SCHEMBL4396316 0.94 KMT2A (0.34) HTR1ASLC6A4MCHR1KMT2AACHE
SCHEMBL4399335 0.91 KMT2A (0.32) HTR1ASLC6A4MCHR1KMT2AACHE
SCHEMBL4398622 0.91 KMT2A (0.32) HTR1ASLC6A4MCHR1KMT2AACHE
SCHEMBL4409082 0.90 SRD5A2 (0.36) MCHR1PDE3BPDE3AKMT2AMEN1
SCHEMBL914713 0.89 KMT2A (0.41) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4403441 0.87 HTR1A (0.40) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4403759 0.86 HTR1A (0.37) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4401792 0.85 DRD2 (0.35) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4396432 0.85 HTR1A (0.36) HTR1ASLC6A4TLR9TLR8TLR7

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