SCHEMBL11652181

SCHEMBL11652181

Cc1nn(C2CCCCC2)c(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE7A Q13946 6/20 0.36
MPO P05164 1/20 0.36
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
PDE7B Q9NP56 2/20 0.34
PDE4D Q08499 1/20 0.34
CTSK P43235 2/20 0.33
MAPT P10636 2/20 0.33
FLT3 P36888 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29683100 0.81 MEN1 (0.49) HPGDALDH1A1MPOSMN1; SMN2GAA
SCHEMBL16513295 0.81 SMN1; SMN2 (0.51) HPGDMPOP2RX7SMN1; SMN2GAA
SCHEMBL13696436 0.80 ALDH1A1 (0.46) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL22518630 0.80 LRRK2 (0.43) HPGDALDH1A1NPC1RAB9A
SCHEMBL13696435 0.78 ALDH1A1 (0.44) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL1811782 0.78 HPGD (0.44) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL12335150 0.77 HPGD (0.58) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL1814476 0.76 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL5349678 0.73 ALDH1A1 (0.41) HPGDKDM4EALDH1A1HSD17B10PDE7A
SCHEMBL1695102 0.72 KDM4E (0.50) HPGDKDM4EALDH1A1HSD17B10PDE7A

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-4108982-A DIURETICS, HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1978-08-22 US disclosed