SCHEMBL4401792

SCHEMBL4401792

C[C@@H](CN1CCC(NC(=O)Oc2cc3c(OCc4coc5ccccc45)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.35
DRD3 P35462 6/20 0.35
HTR2A P28223 5/20 0.35
MAOB P27338 3/20 0.34
DRD4 P21917 1/20 0.34
MAOA P21397 1/20 0.34
HTR1A P08908 2/20 0.33
SLC6A4 P31645 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ACHE P22303 1/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33

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
Hydrochloric Acid SCHEMBL4403801 0.92 HTR1A (0.37) HTR1ASOS1
Hydrochloric Acid SCHEMBL4396450 0.92 SOS1 (0.36) MAOBMAOAHTR1ASLC6A4SOS1
Hydrochloric Acid SCHEMBL4396448 0.92 SOS1 (0.33) MAOBHTR1ASLC6A4SOS1
SCHEMBL4396436 0.92 DRD2 (0.33) DRD2DRD3HTR2AMAOBDRD4
Hydrochloric Acid SCHEMBL4409021 0.92 SOS1 (0.36) MAOBMAOAHTR1ASLC6A4SOS1
SCHEMBL4399337 0.92 MAOB (0.41) MAOBHTR1ASLC6A4ACHE
Hydrochloric Acid SCHEMBL4396591 0.91 HTR1A (0.34) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4405432 0.91 MCHR1 (0.35) MAOBMAOAHTR1ASLC6A4TLR9
Hydrochloric Acid SCHEMBL4405664 0.91 HTR1A (0.35) HTR1ASLC6A4TLR9TLR8TLR7
SCHEMBL4405632 0.90 MAOB (0.38) DRD2DRD3HTR2AMAOBDRD4

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