SCHEMBL8554096

SCHEMBL8554096

Nc1cnc2ccccc2c1NCC12CCCN1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNA7 P36544 1/20 0.33
HCN1 O60741 1/20 0.33
HCN4 Q9Y3Q4 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.33
FTO Q9C0B1 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NCF1 P14598 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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 SCHEMBL8558959 0.99 HRH3 (0.38) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL8555439 0.81 RAB9A (0.38) HRH3ALDH1A1RAB9AKCNH2ADRA2B
SCHEMBL1140601 0.79 LATS1 (0.40) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL1140809 0.79 LATS1 (0.38) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL1141001 0.78 KDM4E (0.36) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL1141204 0.78 LATS1 (0.40) HRH3KDM4EALDH1A1GLAGAA
Methylene Chloride SCHEMBL1141088 0.76 LATS1 (0.38) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL8556303 0.74 RAB9A (0.38) RAB9A
SCHEMBL1140811 0.73 GAA (0.43) HRH3KDM4EALDH1A1GLAGAA
SCHEMBL13645285 0.71 NCF1 (0.42) HRH3KDM4EALDH1A1GLAGAA

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