SCHEMBL9408136

SCHEMBL9408136

CC(CC(=O)c1cc2c(s1)NC(=O)CC2)N1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.47
KCNH2 Q12809 11/20 0.47
DRD2 P14416 9/20 0.47
HTR1A P08908 3/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47
HTR6 P50406 2/20 0.47
ADRA1A P35348 1/20 0.47
DRD1 P21728 1/20 0.46
HTR7 P34969 9/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL8916604 0.84 HTR6 (0.64) HTR2AKCNH2DRD2HTR1AHTR2C
SCHEMBL1545800 0.72 DRD2 (0.64) HTR2AKCNH2DRD2HTR7SLC6A4
SCHEMBL8916506 0.71 ACHE (0.52) HTR2AKCNH2DRD2HTR1AHTR2C
SCHEMBL8347543 0.71 DRD2 (0.64) HTR2AKCNH2DRD2HTR7SLC6A4
SCHEMBL13898738 0.71 DRD2 (0.67) HTR2AKCNH2DRD2HTR7SLC6A4
Hydrochloric Acid SCHEMBL8911231 0.71 DRD2 (0.61) HTR2AKCNH2DRD2HTR7SLC6A4
Hydrochloric Acid SCHEMBL8911228 0.71 DRD2 (0.61) HTR2AKCNH2DRD2HTR7SLC6A4
Hydrochloric Acid SCHEMBL8480127 0.70 DRD2 (0.60) HTR2AKCNH2DRD2HTR7SLC6A4
SCHEMBL8917083 0.70 ACHE (0.50) HTR2AKCNH2DRD2HTR1AHTR2C
SCHEMBL8918221 0.70 ACHE (0.50) HTR2AKCNH2DRD2HTR1AHTR2C

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-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed