SCHEMBL8554656

SCHEMBL8554656

CC(=O)Nc1nc2ccccc2c(N)c1C12CCCN1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MOK Q9UQ07 2/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
KDM1A O60341 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 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
SCHEMBL8554243 0.66 BCHE (0.37) KDM4EGAASMN1; SMN2
SCHEMBL4149685 0.66 KMT2A (0.51) ADORA3HSD17B10TP53KDM4EMAPT
SCHEMBL11727405 0.65 MAPT (0.51) ADORA3ADORA2AADORA1HSD17B10KDM4E
SCHEMBL8554652 0.64 HSD17B10 (0.34) HSD17B10TP53KDM4EMAPTALDH1A1
SCHEMBL8554648 0.64 KCNH2 (0.49) KDM1A
SCHEMBL4163110 0.63 KMT2A (0.66) ADORA3HSD17B10TP53KDM4EMAPT
SCHEMBL4159315 0.63 KDM4E (0.66) ADORA3HSD17B10KDM4EMAPTALDH1A1
Aminacrine SCHEMBL22830340 0.61 KDM4E (0.69) ADORA3HSD17B10TP53KDM4EMAPT
SCHEMBL3074031 0.61 KDM4E (0.71) ADORA3HSD17B10KDM4EMAPTALDH1A1
Aminacrine SCHEMBL31084227 0.61 KDM4E (0.69) ADORA3HSD17B10TP53KDM4EMAPT

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-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed