SCHEMBL9801682

SCHEMBL9801682

CC(N)CC(C)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 2/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL27565285 0.86 CYP3A4 (0.39) DPP7ALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL19407706 0.81 SLC6A2 (0.38) DPP7ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL18828088 0.81 SLC6A2 (0.38) DPP7ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL464956 0.80 DPP7 (0.36) DPP7ALDH1A1TSHRMAPK1SLC6A4
SCHEMBL17331178 0.79 CYP3A4 (0.36) DPP7ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL2171359 0.79 CYP3A4 (0.36) DPP7ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL19924785 0.79 CYP3A4 (0.36) DPP7ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL15955649 0.79 CYP3A4 (0.36) DPP7ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL9801362 0.78 KMT2A (0.40) ALDH1A1TSHRMAPK1CYP3A4CYP2C19
SCHEMBL9801688 0.78 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1CYP2D6SMN1; 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
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed