SCHEMBL7275074

SCHEMBL7275074

O=C1CCc2cc(C(=O)CCN3CCN(c4ccc5[nH]c(=O)ccc5c4)CC3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 3/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
SLC6A4 P31645 8/20 0.49
SLC6A2 P23975 7/20 0.49
SLC6A3 Q01959 7/20 0.49
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
POLB P06746 1/20 0.43
DRD2 P14416 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL7269188 0.91 GRIN2B (0.47) HTR1ADRD3DRD4HTR2AHTR7
SCHEMBL7269770 0.85 PDE3B (0.61) HTR1ASLC6A4SLC6A2SLC6A3NR3C1
SCHEMBL10837493 0.81 HTR1A (0.65) HTR1ADRD3DRD4HTR2AHTR7
SCHEMBL7268230 0.81 HTR1A (0.46) HTR1ADRD4HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL10836120 0.81 HTR1A (0.57) HTR1ADRD3DRD4HTR2AHTR7
SCHEMBL10836042 0.79 DRD3 (0.58) HTR1ADRD3DRD4HTR2AHTR7
SCHEMBL10836062 0.79 HTR1A (0.55) HTR1ADRD3DRD4HTR2AHTR7
Hydrochloric Acid SCHEMBL10837678 0.79 HTR1A (0.58) HTR1ADRD3DRD4HTR2AHTR7
SCHEMBL7278365 0.79 KCNH2 (0.51) HTR1AHTR2AHTR7SLC6A4SLC6A2
SCHEMBL7267716 0.79 SLC6A4 (0.49) HTR1ASLC6A4SLC6A2SLC6A3NR3C1

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-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
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