SCHEMBL7328013

SCHEMBL7328013

O=C(Nc1c(F)cc(F)cc1F)C1CCc2nc[nH]c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ADRA1A P35348 6/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSK3B P49841 2/20 0.36
MAPK14 Q16539 2/20 0.36
ADRA1D P25100 1/20 0.33
ABL1 P00519 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL7328005 0.91 NPC1 (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7325553 0.80 HTR3A (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL9050935 0.77 HTR3A (0.48) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851022 0.73 ADRA1A (0.53) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9050185 0.73 KMT2A (0.52) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7327993 0.73 HTR3A (0.50) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7327570 0.73 MAPT (0.46) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851011 0.73 HTR3A (0.52) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9048823 0.72 GSK3A (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7333796 0.72 ADRA1A (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed