SCHEMBL8554652

SCHEMBL8554652

CC(=O)N(c1cnc2ccccc2c1N)C12CCCN1CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 6/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
GRM5 P41594 3/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NCF1 P14598 1/20 0.32
PTK2 Q05397 1/20 0.31
LCK P06239 1/20 0.31
MAP2K3 P46734 1/20 0.31
MAP2K6 P52564 1/20 0.31
BTK Q06187 1/20 0.31
MAP3K19 Q56UN5 1/20 0.31

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
SCHEMBL8554099 0.71 GRM5 (0.33) HSD17B10KDM4EALDH1A1GRM5GLA
Hydrochloric Acid SCHEMBL8558963 0.70 HTT (0.33) HSD17B10KDM4EALDH1A1LMNAGRM5
SCHEMBL8554243 0.68 BCHE (0.37) KDM4EGAASMN1; SMN2
SCHEMBL8554648 0.66 KCNH2 (0.49)
SCHEMBL8554656 0.64 ADORA3 (0.42) HSD17B10TP53TSHRKDM4EALDH1A1
SCHEMBL8555441 0.64 DYRK1A (0.39) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL27517898 0.61 HTT (0.45) HSD17B10TP53TSHRKDM4EALDH1A1
SCHEMBL8554096 0.60 HRH3 (0.39) HSD17B10KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL8558959 0.60 HRH3 (0.38) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL436714 0.59 HAVCR2 (0.58) HSD17B10TP53TSHRKDM4EALDH1A1

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 5 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
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed