SCHEMBL7271076

SCHEMBL7271076

CC(C)C(OC(=O)c1c[nH]c2ccccc12)C1CCCCN1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.54
HTR3B O95264 6/20 0.54
HTR3A P46098 6/20 0.54
HTR3D Q70Z44 6/20 0.54
HTR3C Q8WXA8 6/20 0.54
CYP2D6 P10635 3/20 0.54
CHRNB2 P17787 3/20 0.54
CHRNA7 P36544 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNA1 P02708 2/20 0.54
CHRNG P07510 2/20 0.54
CYP3A4 P08684 2/20 0.54
CHRNB1 P11230 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRND Q07001 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54

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
SCHEMBL7271032 0.89 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7278288 0.89 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7269431 0.84 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7276790 0.84 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7280256 0.82 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7268900 0.81 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8803598 0.80 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7615992 0.76 CYP2D6 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7269469 0.75 CYP2D6 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7269463 0.75 CYP2D6 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP disclosed