SCHEMBL7590659

SCHEMBL7590659

CCC(F)c1cc(N2CCN(C(=O)OCc3ccccc3)CC2)cc(Br)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.46
SIGMAR1 Q99720 12/20 0.46
HRH1 P35367 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HRH2 P25021 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7585007 0.88 MAPT (0.51) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL7583688 0.82 MAPT (0.42) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL27301727 0.75 CHRM4 (0.53) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL25889397 0.73 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL9727540 0.73 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31703372 0.73 TMEM97 (0.48) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL975238 0.72 NPSR1 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL7582764 0.72 DRD2 (0.38) MAPTMAPK1HTT
SCHEMBL19212232 0.72 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31703435 0.71 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HRH2

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
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed