SCHEMBL7972859

SCHEMBL7972859

O=C(NN1CCNCC1C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
HTR2C P28335 2/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.39
LIPE Q05469 2/20 0.38
TRPV1 Q8NER1 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
PREP P48147 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL8419841 0.79 CYP2D6 (0.47) HSD11B1CYP2D6
Water SCHEMBL7778613 0.78 CYP2D6 (0.46) HSD11B1CYP2D6
SCHEMBL7972579 0.74 CYP2D6 (0.40) CYP2D6
SCHEMBL7972856 0.73 CYP2D6 (0.39) HSD11B1CYP2D6
Trifluoroacetic Acid SCHEMBL21819343 0.71 EPHX2 (0.45) GAATRPV1OPRM1OPRD1OPRK1
SCHEMBL7972857 0.70 HSD11B1 (0.62) HSD11B1MGLLGAALIPECYP2D6
SCHEMBL8015244 0.69 HSD11B1 (0.40) HSD11B1CYP2D6
SCHEMBL2517888 0.68 EPHX1 (0.58) HTR2CLIPETRPV1OPRM1OPRD1
SCHEMBL23657648 0.66 TRPV1 (0.78) TRPV1
SCHEMBL12576441 0.66 HSD11B1 (1.00) HSD11B1MGLLGAA

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 1 patent. 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