SCHEMBL9539487

SCHEMBL9539487

CCCCC(OC(=O)c1c[nH]c2ccccc12)C1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA7 P36544 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CHRNB1 P11230 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRND Q07001 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 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
Hydrochloric Acid SCHEMBL9340476 0.99 APEX1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3166028 0.77 HTR4 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7268900 0.76 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28347628 0.74 NR4A2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9197865 0.73 MAP2K1 (0.51) CYP2D6
SCHEMBL3165607 0.72 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5326791 0.71 NR4A2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL23581746 0.71 NR4A2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15560305 0.71 NR4A2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3262552 0.70 NR4A2 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C

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
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed