SCHEMBL7652516

SCHEMBL7652516

CN(C)CCCn1c(-c2ccccc2)nn(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.46
HTR3A P46098 1/20 0.43
ALDH1A1 P00352 9/20 0.42
HPGD P15428 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 6/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
MPO P05164 1/20 0.39
XDH P47989 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL7656086 0.92 CTSK (0.45) CTSKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7652922 0.83 CTSK (0.50) CTSKALDH1A1MEN1KMT2A
SCHEMBL7679154 0.82 ALDH1A1 (0.46) CTSKALDH1A1KDM4ECYP3A4MEN1
SCHEMBL7649212 0.82 CTSK (0.47) CTSKALDH1A1HPGDKDM4EMEN1
SCHEMBL7652478 0.81 CTSK (0.48) CTSK
SCHEMBL7652889 0.80 CTSK (0.45) CTSKALDH1A1KDM4ETSHR
SCHEMBL7652938 0.78 ALDH1A1 (0.43) CTSKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7656565 0.78 ROCK2 (0.48) CTSKALDH1A1POLB
SCHEMBL7655384 0.77 HPGD (0.43) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
SCHEMBL7656105 0.77 DRD2 (0.39) CTSKALDH1A1HPGDKDM4EHSD17B10

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed