SCHEMBL7972787

SCHEMBL7972787

O=C(NN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HSD11B1 P28845 2/20 0.60
CYP2D6 P10635 1/20 0.58
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 2/20 0.56
FASN P49327 3/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL9185373 0.93 CYP2D6 (0.62) SLC6A7MEN1KMT2AHSD11B1CYP2D6
SCHEMBL7975189 0.88 CYP2D6 (0.62) SLC6A7MEN1KMT2AHSD11B1CYP2D6
SCHEMBL7958924 0.86 S1PR2 (0.55) SLC6A7MEN1KMT2AHSD11B1CYP2D6
SCHEMBL7970388 0.85 CYP2D6 (0.62) SLC6A7MEN1KMT2AHSD11B1CYP2D6
SCHEMBL7970184 0.84 CYP2D6 (0.61) HSD11B1CYP2D6POLBALDH1A1CA12
SCHEMBL14817973 0.84 CYP2D6 (0.65) KMT2AHSD11B1CYP2D6HPGDPOLB
SCHEMBL9192739 0.82 TSHR (0.58) MEN1KMT2ACYP2D6HPGDMAPK1
SCHEMBL7969951 0.82 CYP2D6 (0.62) MEN1KMT2AHSD11B1CYP2D6HPGD
SCHEMBL1221347 0.81 KMT2A (0.62) SLC6A7MEN1KMT2AHSD11B1HPGD
SCHEMBL7975184 0.81 HTT (0.54) SLC6A7MEN1KMT2ACYP2D6HPGD

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