SCHEMBL8551913

SCHEMBL8551913

O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)n(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
HTR2A P28223 8/20 0.53
HTR2C P28335 4/20 0.50
HTR7 P34969 3/20 0.50
HTR6 P50406 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
HTR1A P08908 2/20 0.50
CYP2C9 P11712 2/20 0.50
DRD2 P14416 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
HTR1D P28221 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
Hydrochloric Acid SCHEMBL8024944 0.99 HSD11B1 (0.53) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8008193 0.91 HTR2A (0.58) HSD11B1HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL8024939 0.90 HTR2A (0.57) HSD11B1HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL8021166 0.86 HTR2A (0.61) HTR2AHTR2CHTR7HTR6CYP1A2
Hydrochloric Acid SCHEMBL8008644 0.85 HTR2A (0.53) HSD11B1HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL8025211 0.85 HTR2A (0.60) HTR2AHTR2CHTR7HTR6CYP1A2
Hydrochloric Acid SCHEMBL8025335 0.84 HTR2A (0.50) HTR2AHTR2CHTR7HTR6CYP1A2
Hydrochloric Acid SCHEMBL8008713 0.84 HTR2A (0.52) HTR2AHTR2CHTR7HTR6CYP1A2
Hydrochloric Acid SCHEMBL8025230 0.84 HTR2A (0.52) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL1582857 0.83 HTR2A (0.70) HSD11B1HTR2AHTR2CHTR7HTR6

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
EP-0816356-A1 1-(2-(1-piperidinyl)-1-ethyl)-1,3-dihydro-2H-benzimidazole derivatives and their pharmaceutical use ELI LILLY AND COMPANY LIMITED (GB) 1998-01-07 EP disclosed