SCHEMBL7480674

SCHEMBL7480674

O=C1CN(CCc2ccccc2)c2ccccc2C=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
PARK7 Q99497 1/20 0.39
DAO P14920 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL7430313 0.85 EPHX2 (0.49) ALDH1A1ALDH2ALDH3A1MEN1KMT2A
SCHEMBL7480896 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7683513 0.72 HTT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4985909 0.69 GAA (0.49) ALDH1A1ALDH2ALDH3A1PARK7MEN1
SCHEMBL31202677 0.68 CYP1A2 (0.40) ACHEALDH1A1MEN1KMT2AGAA
SCHEMBL4283301 0.66 KMT2A (0.56) ACHEDAOMEN1KMT2AL3MBTL1
SCHEMBL4997317 0.64 ALDH1A1 (0.48) ALDH1A1ALDH2ALDH3A1PARK7MEN1
SCHEMBL31161862 0.64 ACHE (0.55) ACHEALDH1A1DAOMEN1KMT2A
SCHEMBL10335076 0.64 DDB1 (0.51) ACHEALDH1A1DAOMEN1KMT2A
SCHEMBL2132367 0.64 L3MBTL1 (0.60) ACHEMEN1KMT2AL3MBTL1USP2

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-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed