SCHEMBL7097516

SCHEMBL7097516

CCC([N]C(CC)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
LMNA P02545 1/20 0.50
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
HKDC1 Q2TB90 1/20 0.39
TRPA1 O75762 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL7115158 0.85 MIF (0.61) MIFNOS3NOS2LMNAHKDC1
SCHEMBL2404477 0.83 MIF (0.59) MIFNOS3NOS2LMNAHKDC1
SCHEMBL919175 0.83 MIF (0.59) MIFNOS3NOS2LMNAHKDC1
SCHEMBL13594117 0.81 MIF (0.57) MIFNOS3NOS2LMNAHKDC1
SCHEMBL9921621 0.81 MIF (0.57) MIFNOS3NOS2LMNAHKDC1
SCHEMBL28118844 0.78 MIF (0.53) MIFNOS3NOS2LMNAHKDC1
SCHEMBL2766612 0.76 MIF (0.67) MIFNOS3NOS2LMNAHKDC1
SCHEMBL727626 0.76 MIF (0.67) MIFNOS3NOS2LMNAHKDC1
SCHEMBL3915370 0.76 MIF (1.00) MIFNOS3NOS2LMNAHKDC1
SCHEMBL6970517 0.76 MIF (0.67) MIFNOS3NOS2LMNAHKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885237-B1 OLIGONUCLEOTIDE ANALOGUES ISIS PHARMACEUTICALS INC (US) 2003-09-10 EP disclosed
US-6562960-B1 Oligonucleotide analogues ISIS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
EP-0885237-A1 OLIGONUCLEOTIDE ANALOGUES Novartis AG (CH) 1998-12-23 EP disclosed
WO-1997032887-A1 OLIGONUCLEOTIDE ANALOGUES NOVARTIS AG (CH) 1997-09-12 WO disclosed