SCHEMBL7276571

SCHEMBL7276571

O=c1ccc2cc(N3CCNCC3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
HTR5A P47898 1/20 0.57
HTR1A P08908 3/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
F11 P03951 1/20 0.47
ADRB1 P08588 6/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDR P35968 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
Bromide SCHEMBL11200399 0.98 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27771950 0.90 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16927217 0.87 AR (0.54) HTR1ACA12CA9F11SLC6A2
SCHEMBL1150327 0.86 MAPK1 (0.53) HTR1ACA12CA9F11SLC6A2
Hydrochloric Acid SCHEMBL9727859 0.84 MAPK1 (0.52) HTR1ACA12CA9F11SLC6A2
SCHEMBL7282819 0.81 HTR1A (0.46) HTR1ACA12CA9F11SLC6A2
SCHEMBL11198888 0.81 HTR1A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7284758 0.80 HTR1A (0.45) HTR1ACA12CA9F11SLC6A2
Trifluoroacetic Acid SCHEMBL30355108 0.79 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9396608 0.78 CDC7 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370381-B1 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-05-10 EP disclosed
US-4988698-A Cardiovascular disorders, hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
CN-1042905-A The preparation method of 2 (1H) quinolinone compounds and medicinal compositions thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-06-13 CN disclosed
EP-0370381-A2 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-30 EP disclosed