SCHEMBL9014873

SCHEMBL9014873

CCOC(=O)c1nc2c(nc1OC)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ACHE P22303 9/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TARBP2 Q15633 1/20 0.38
PDCD4 Q53EL6 1/20 0.38
CACNB4 O00305 2/20 0.38
CACNA1A O00555 2/20 0.38
CACNA1G O43497 2/20 0.38
CACNG3 O60359 2/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1H O95180 2/20 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
SCHEMBL5880357 0.82 KDM4E (0.48) KDM4EACHEALDH1A1MAPTNPC1
SCHEMBL30681964 0.81 KDM4E (0.47) KDM4EACHEALDH1A1MAPTNPC1
SCHEMBL26617701 0.81 KDM4E (0.47) KDM4EACHEALDH1A1MAPTNPC1
SCHEMBL26617997 0.79 KDM4E (0.46) KDM4EACHEALDH1A1MAPTNPC1
SCHEMBL31345638 0.79 KDM4E (0.46) KDM4EACHEALDH1A1MAPTNPC1
SCHEMBL16116185 0.75 ACHE (0.44) KDM4EACHEALDH1A1MAPTALOX15
SCHEMBL7543209 0.73 ALDH1A1 (0.43) ALDH1A1MAPTNPC1CYP1A2HPGD
SCHEMBL2023364 0.72 L3MBTL1 (0.49) KDM4EALDH1A1NPC1RAB9ACYP1A2
SCHEMBL22021573 0.72 ACHE (0.47) KDM4EACHEALDH1A1MAPTCYP1A2
SCHEMBL10563413 0.72 KDM4E (0.73) KDM4EACHEALDH1A1MAPTNPC1

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed