SCHEMBL7975166

SCHEMBL7975166

CC(=O)N1CCN(NC(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.51
EPHX1 P07099 1/20 0.51
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
HRH3 Q9Y5N1 3/20 0.48
CYP2D6 P10635 1/20 0.48
GAA P10253 1/20 0.47
TRPV1 Q8NER1 4/20 0.47
NAMPT P43490 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
FAAH O00519 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL21819347 0.85 GPR119 (0.55) EPHX2HRH3CYP2D6GAATRPV1
SCHEMBL7972857 0.84 HSD11B1 (0.62) EPHX2HRH3CYP2D6GAA
SCHEMBL7972315 0.83 ALDH1A1 (0.52) CYP2D6GAA
SCHEMBL7972123 0.83 CYP2D6 (0.52) EPHX2CYP2D6TRPV1
SCHEMBL7968909 0.82 CYP2D6 (0.50) CYP2D6GAA
SCHEMBL194951 0.80 CYP2D6 (0.72) CYP2D6GAA
SCHEMBL7975201 0.80 ALDH1A1 (0.51) MMP2MMP9CYP2D6GAA
Water SCHEMBL3089403 0.79 CYP2D6 (0.70) CYP2D6GAA
SCHEMBL8018069 0.79 CYP2D6 (0.53) CYP2D6GAAHDAC8HDAC6
SCHEMBL7972839 0.79 CYP2D6 (0.53) CYP2D6GAAHDAC8HDAC6

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