SCHEMBL7972857

SCHEMBL7972857

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.62
EPHX2 P34913 3/20 0.55
CYP2D6 P10635 1/20 0.54
HRH3 Q9Y5N1 2/20 0.54
LIPE Q05469 1/20 0.49
MGLL Q99685 1/20 0.49
LSS P48449 1/20 0.48
S1PR2 O95136 1/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP3A4 P08684 1/20 0.47
DPP4 P27487 1/20 0.47
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL7970528 0.85 CYP2D6 (0.60) HSD11B1CYP2D6S1PR2CA12CA1
SCHEMBL7975166 0.84 EPHX2 (0.51) EPHX2CYP2D6HRH3GAA
SCHEMBL7969951 0.84 CYP2D6 (0.62) HSD11B1EPHX2CYP2D6S1PR2CA12
SCHEMBL7958924 0.83 S1PR2 (0.55) HSD11B1CYP2D6S1PR2CA12CA1
SCHEMBL9185373 0.82 CYP2D6 (0.62) HSD11B1CYP2D6CA12CA1CA2
SCHEMBL7970388 0.82 CYP2D6 (0.62) HSD11B1EPHX2CYP2D6CA12CA1
SCHEMBL7975189 0.82 CYP2D6 (0.62) HSD11B1EPHX2CYP2D6CA12CA1
SCHEMBL1424870 0.81 HSD11B1 (0.69) HSD11B1EPHX2LIPEMGLLDPP4
SCHEMBL7970184 0.81 CYP2D6 (0.61) HSD11B1EPHX2CYP2D6CA12CA1
SCHEMBL14817973 0.81 CYP2D6 (0.65) HSD11B1EPHX2CYP2D6GAACA12

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