SCHEMBL9738376

SCHEMBL9738376

O=C1CC2CCCc3sccc3C2=NN1c1cccc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.42
BCHE P06276 5/20 0.42
HTR1A P08908 6/20 0.35
HTR6 P50406 4/20 0.35
HTR7 P34969 3/20 0.35
ALOX5 P09917 2/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.30
KCNE1 P15382 1/20 0.30

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
SCHEMBL8840949 0.81 ACHE (0.43) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL9738670 0.77 ACHE (0.41) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL10367756 0.74 GRM7 (0.33) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL9737830 0.74 APP (0.40) ACHEBCHEMEN1KMT2A
SCHEMBL8840973 0.73 ACHE (0.48) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL8840999 0.70 ACHE (0.47) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL9737592 0.65 MAPT (0.36) MEN1ALOX15TSHRKMT2A
SCHEMBL9738054 0.65 MAPT (0.41) MEN1KMT2A
SCHEMBL9739096 0.64 PDE4A (0.40) ACHEBCHEHTR1AHTR6HTR7
SCHEMBL9738208 0.62 GAA (0.34) MEN1TSHRKMT2A

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
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed