SCHEMBL6507535

SCHEMBL6507535

CCOC(=O)C1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.71
MAPT P10636 13/20 0.71
ALDH1A1 P00352 8/20 0.71
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CTSB P07858 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL6499616 0.84 MAPT (0.81) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6529147 0.82 MAPT (0.68) LGMNMAPTALDH1A1LMNATDP1
SCHEMBL38658829 0.82 MAPT (0.75) LGMNMAPTALDH1A1TDP1TP53
SCHEMBL20522603 0.81 MAPT (0.63) LGMNMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2062463 0.81 MAPT (0.64) LGMNMAPTALDH1A1TDP1TP53
SCHEMBL3537665 0.81 MAPT (0.73) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9692032 0.81 MAPT (0.72) LGMNMAPTALDH1A1TP53HTT
SCHEMBL3435047 0.80 MAPT (0.69) LGMNMAPTALDH1A1LMNAHPGD
SCHEMBL27774 0.79 MAPT (1.00) LGMNMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL400816 0.79 MAPT (0.79) LGMNMAPTALDH1A1TP53HTT

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed