SCHEMBL7464142

SCHEMBL7464142

NCCNC(=O)C1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ELANE P08246 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CTSS P25774 1/20 0.41

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
SCHEMBL6733533 1.00 LMNA (0.52) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6737762 0.88 ALDH1A1 (0.60) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6740425 0.84 ALDH1A1 (0.58) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6739627 0.83 LMNA (0.52) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6738120 0.83 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6735158 0.83 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6738470 0.83 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6740194 0.82 ALDH1A1 (0.60) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6739641 0.82 ALDH1A1 (0.60) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7846334 0.82 ELANE (0.67) LMNAMAPTALDH1A1L3MBTL1SMN1; SMN2

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-1098894-B1 FKBP INHIBITORS PFIZER LTD (GB) 2002-10-02 EP disclosed