SCHEMBL8554099

SCHEMBL8554099

CN(c1c(N)cnc2ccccc12)C12CCCN1CCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
HTR3A P46098 2/20 0.33
NCF1 P14598 2/20 0.33
SSTR2 P30874 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH4 Q9H3N8 3/20 0.32
PTPN11 Q06124 1/20 0.32
HCRTR2 O43614 3/20 0.32
HCRTR1 O43613 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 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
Hydrochloric Acid SCHEMBL8558963 0.99 HTT (0.33) GRM5HTR3ANCF1SSTR2HRH3
SCHEMBL8555441 0.80 DYRK1A (0.39) KDM4EALDH1A1HTT
SCHEMBL28719464 0.73 NCF1 (0.46) GRM5NCF1HCRTR1KDM4EALDH1A1
SCHEMBL8554652 0.71 HSD17B10 (0.34) GRM5NCF1KDM4EALDH1A1GLA
SCHEMBL8554096 0.69 HRH3 (0.39) NCF1HRH3KDM4EALDH1A1GLA
SCHEMBL10736064 0.69 GBA1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL8558959 0.68 HRH3 (0.38) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL6723993 0.68 EGFR (0.51) NCF1KDM4EALDH1A1GLAHPGD
SCHEMBL5421326 0.61 NCF1 (0.40) GRM5NCF1KDM4EALDH1A1GLA
SCHEMBL4733753 0.61 NCF1 (0.50) NCF1KDM4EALDH1A1GLAGAA

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 4 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-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP claimed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed