SCHEMBL2762828

SCHEMBL2762828

O=[N+]([O-])c1cc(N2CC[N]CC2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCB1 P08183 1/20 0.45
HTR6 P50406 6/20 0.44
SIRT6 Q8N6T7 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1845491 0.86 HTR6 (0.59) POLBCTSVCTSLMAPTCYP1A2
SCHEMBL3049503 0.86 MAPT (0.59) POLBMAPTCYP3A4NPSR1MEN1
SCHEMBL7940000 0.81 ALDH1A1 (0.57) POLBCTSVCTSLMAPTNPSR1
SCHEMBL12497140 0.81 MAPT (0.48) POLBMAPTCYP1A2CYP2C19HTR6
SCHEMBL2763441 0.79 HTR6 (0.48) MAPTCYP3A4HTR6MEN1KMT2A
SCHEMBL2763067 0.79 ALDH1A1 (0.60) MAPTCYP1A2CYP2C19SIRT6MEN1
SCHEMBL4802434 0.79 KMT2A (0.56) POLBCTSVCTSLMAPTNPSR1
SCHEMBL4802423 0.79 KMT2A (0.56) POLBCTSVCTSLMAPTNPSR1
SCHEMBL12497148 0.76 ALDH1A1 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12497382 0.76 SIRT6 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed