SCHEMBL7970388

SCHEMBL7970388

O=C(NN1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.62
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
EPHX2 P34913 2/20 0.49
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD11B1 P28845 1/20 0.48
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A7 Q99884 1/20 0.46

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
SCHEMBL7975189 0.89 CYP2D6 (0.62) CYP2D6CA12CA1CA2CA7
SCHEMBL9185373 0.89 CYP2D6 (0.62) CYP2D6CA12CA1CA2CA7
SCHEMBL7970184 0.87 CYP2D6 (0.61) CYP2D6CA12CA1CA2CA7
SCHEMBL14817973 0.87 CYP2D6 (0.65) CYP2D6CA12CA1CA2CA7
SCHEMBL7969951 0.85 CYP2D6 (0.62) CYP2D6CA12CA1CA2CA7
SCHEMBL7972787 0.85 SLC6A7 (0.66) CYP2D6CA12CA1CA2CA7
SCHEMBL7972620 0.84 CYP2D6 (0.60) CYP2D6CA12CA1CA2CA7
SCHEMBL7970528 0.84 CYP2D6 (0.60) CYP2D6CA12CA1CA2CA7
SCHEMBL7975141 0.84 CYP2D6 (0.57) CYP2D6CA12CA1CA2CA7
SCHEMBL7975191 0.84 CYP2D6 (0.57) CYP2D6CA12CA1CA2CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed