SCHEMBL10873341

SCHEMBL10873341

O=C(O)OC1=CCCN(CCc2c[nH]c3ccccc23)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.54
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ HTR1A P08908 2/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ FAAH O00519 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL10869866 0.89 HTR2A (0.51) HTR2AADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL10870609 0.88 HTR2A (0.50) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL10873091 0.87 SMN1; SMN2 (0.49) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL10871072 0.78 HTR2A (0.60) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL10872487 0.78 HTR2A (0.63) HTR2AHTR1ADRD2SLC6A4HTR7
SCHEMBL10875979 0.76 DRD2 (0.53) DRD2DRD3KMT2ARAB9ASMN1; SMN2
SCHEMBL10871284 0.75 HTR2A (0.60) HTR2AHTR1AKMT2ARAB9AALDH1A1
SCHEMBL10872305 0.75 MTNR1A (0.50) HTR2AHTR1ASLC6A4KMT2A
Bromide SCHEMBL10872043 0.75 HTR7 (0.48) HTR2ASLC6A4HTR7KMT2ALMNA
SCHEMBL6465788 0.74 HTR2A (0.88) HTR2AADRA2AADRA2BADRA2CADRA1D

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-0187619-A2 1,3-Disubstituted tetrahydropyridines CIBA-GEIGY AG (CH) 1986-07-16 — — EP disclosed
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