SCHEMBL8986471

SCHEMBL8986471

CCOC(=O)Nc1ccc(C2CCN(C(=O)OCC)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
ABL1 P00519 1/20 0.58
POLB P06746 1/20 0.58
RIN1 Q13671 1/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NAMPT P43490 2/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8986417 0.91 NAMPT (0.65) MAPTTDP1ABL1POLBRIN1
SCHEMBL1996211 0.84 NAMPT (0.57) MAPTABL1RIN1LMNAHTT
SCHEMBL1996214 0.84 NAMPT (0.57) MAPTABL1RIN1LMNAHTT
SCHEMBL7300880 0.84 LMNA (0.49) MAPTTDP1ABL1POLBRIN1
SCHEMBL8986418 0.83 LMNA (0.61) LMNAHTTCYP2C19ALDH1A1HPGD
SCHEMBL10813817 0.83 LMNA (0.61) LMNAHTTCYP2C19ALDH1A1HPGD
SCHEMBL7985522 0.82 KDM1A (0.59) POLBHTTCYP2C19
SCHEMBL27322968 0.82 LMNA (0.47) MAPTTDP1ABL1POLBRIN1
SCHEMBL11437380 0.81 MEN1 (0.50) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL10156800 0.80 NAMPT (0.60) MAPTABL1RIN1LMNAKMT2A

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
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed